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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/bvh-6064fac2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/bvh-6064fac2/inputs/seq.fa: 1
curr_seq: _GGAGGGUAGACUCGCUCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGGUAGACUCGCUCUCC
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -76.614507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614507 (E_RNA)
where:
Base-Base interactions energy: -2.124
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -133.127657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.127657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.127657 (E_RNA)
where:
Base-Base interactions energy: -62.471
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.001
local terms energy: -70.655421
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -133.568464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.568464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.568464 (E_RNA)
where:
Base-Base interactions energy: -62.653
where: short stacking energy: -57.368
Base-Backbone interact. energy: -0.018
local terms energy: -70.898147
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -14.793
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -143.450497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.450497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.450497 (E_RNA)
where:
Base-Base interactions energy: -85.898
where: short stacking energy: -56.377
Base-Backbone interact. energy: -0.111
local terms energy: -57.441063
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -119.965332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.965332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.965332 (E_RNA)
where:
Base-Base interactions energy: -56.222
where: short stacking energy: -56.222
Base-Backbone interact. energy: -0.000
local terms energy: -63.743076
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -8.875
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -113.149547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.149547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.149547 (E_RNA)
where:
Base-Base interactions energy: -55.983
where: short stacking energy: -50.890
Base-Backbone interact. energy: 0.248
local terms energy: -57.414312
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -12.958
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -99.413062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.413062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.413062 (E_RNA)
where:
Base-Base interactions energy: -46.501
where: short stacking energy: -35.997
Base-Backbone interact. energy: -0.104
local terms energy: -52.808203
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -5.639
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -135.774414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.774414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.774414 (E_RNA)
where:
Base-Base interactions energy: -76.836
where: short stacking energy: -30.845
Base-Backbone interact. energy: -0.132
local terms energy: -58.806495
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -106.632877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.632877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.632877 (E_RNA)
where:
Base-Base interactions energy: -60.010
where: short stacking energy: -35.578
Base-Backbone interact. energy: -0.149
local terms energy: -46.474032
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -81.272208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.272208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.272208 (E_RNA)
where:
Base-Base interactions energy: -33.861
where: short stacking energy: -33.861
Base-Backbone interact. energy: -0.092
local terms energy: -47.319442
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -7.143
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -85.264133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.264133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.264133 (E_RNA)
where:
Base-Base interactions energy: -40.786
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.800
local terms energy: -43.677585
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -7.889
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -160.286262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.286262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.286262 (E_RNA)
where:
Base-Base interactions energy: -93.131
where: short stacking energy: -46.633
Base-Backbone interact. energy: 0.481
local terms energy: -67.636749
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -152.766944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.766944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.766944 (E_RNA)
where:
Base-Base interactions energy: -94.112
where: short stacking energy: -47.765
Base-Backbone interact. energy: 0.153
local terms energy: -58.808227
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -190.551629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.551629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.551629 (E_RNA)
where:
Base-Base interactions energy: -120.608
where: short stacking energy: -61.446
Base-Backbone interact. energy: -0.025
local terms energy: -69.918615
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -110.668156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.668156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.668156 (E_RNA)
where:
Base-Base interactions energy: -51.755
where: short stacking energy: -40.681
Base-Backbone interact. energy: -0.053
local terms energy: -58.860456
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -116.654084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.654084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.654084 (E_RNA)
where:
Base-Base interactions energy: -53.521
where: short stacking energy: -50.632
Base-Backbone interact. energy: -0.162
local terms energy: -62.971008
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -9.651
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -137.240060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.240060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.240060 (E_RNA)
where:
Base-Base interactions energy: -76.889
where: short stacking energy: -30.721
Base-Backbone interact. energy: -0.910
local terms energy: -59.440602
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -10.202
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -90.709579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.709579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.709579 (E_RNA)
where:
Base-Base interactions energy: -46.202
where: short stacking energy: -28.989
Base-Backbone interact. energy: -1.159
local terms energy: -43.349131
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -89.690673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.690673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.690673 (E_RNA)
where:
Base-Base interactions energy: -40.292
where: short stacking energy: -30.301
Base-Backbone interact. energy: -0.251
local terms energy: -49.147291
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -10.119
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -5.961
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: 3
Temperature: 1.300000
Total energy: -82.830465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.830465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.830465 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.124
local terms energy: -50.446510
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -134.482231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.482231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.482231 (E_RNA)
where:
Base-Base interactions energy: -78.144
where: short stacking energy: -41.969
Base-Backbone interact. energy: -0.092
local terms energy: -56.246001
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -7.582
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: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -187.655298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.655298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.655298 (E_RNA)
where:
Base-Base interactions energy: -119.466
where: short stacking energy: -60.712
Base-Backbone interact. energy: 0.160
local terms energy: -68.348983
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.119
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -187.593127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.593127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.593127 (E_RNA)
where:
Base-Base interactions energy: -132.945
where: short stacking energy: -32.694
Base-Backbone interact. energy: -2.065
local terms energy: -52.583121
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -211.371187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.371187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.371187 (E_RNA)
where:
Base-Base interactions energy: -142.962
where: short stacking energy: -71.734
Base-Backbone interact. energy: -0.095
local terms energy: -68.314375
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -10.942
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: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -118.382380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.382380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.382380 (E_RNA)
where:
Base-Base interactions energy: -55.858
where: short stacking energy: -55.858
Base-Backbone interact. energy: -0.007
local terms energy: -62.518002
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -9.244
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -159.628771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.628771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.628771 (E_RNA)
where:
Base-Base interactions energy: -97.493
where: short stacking energy: -58.703
Base-Backbone interact. energy: -0.375
local terms energy: -61.760363
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -7.295
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -14.582
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -100.844177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.844177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.844177 (E_RNA)
where:
Base-Base interactions energy: -50.446
where: short stacking energy: -47.839
Base-Backbone interact. energy: -0.160
local terms energy: -50.237961
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -95.925977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.925977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.925977 (E_RNA)
where:
Base-Base interactions energy: -41.458
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.496
local terms energy: -53.971798
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -97.159404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.159404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.159404 (E_RNA)
where:
Base-Base interactions energy: -45.749
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.109
local terms energy: -51.302040
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -7.261
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: 4
Temperature: 1.300000
Total energy: -210.218105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.218105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.218105 (E_RNA)
where:
Base-Base interactions energy: -149.843
where: short stacking energy: -60.948
Base-Backbone interact. energy: -0.002
local terms energy: -60.372801
where:
bonds (distance) C4'-P energy: -6.395
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -78.601012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.601012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.601012 (E_RNA)
where:
Base-Base interactions energy: -33.983
where: short stacking energy: -31.043
Base-Backbone interact. energy: -0.388
local terms energy: -44.230406
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -5.127
flat angles P-C4'-P energy: -9.810
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: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -177.276806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.276806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.276806 (E_RNA)
where:
Base-Base interactions energy: -107.722
where: short stacking energy: -67.118
Base-Backbone interact. energy: -0.007
local terms energy: -69.548350
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -217.587715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.587715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.587715 (E_RNA)
where:
Base-Base interactions energy: -147.207
where: short stacking energy: -74.342
Base-Backbone interact. energy: -0.031
local terms energy: -70.350362
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -18.554
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: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -195.583041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.583041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.583041 (E_RNA)
where:
Base-Base interactions energy: -129.894
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.101
local terms energy: -65.588632
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -11.524
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: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -172.714769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.714769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.714769 (E_RNA)
where:
Base-Base interactions energy: -109.136
where: short stacking energy: -53.022
Base-Backbone interact. energy: 0.011
local terms energy: -63.590015
where:
bonds (distance) C4'-P energy: -7.939
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -8.079
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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -124.624906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.624906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.624906 (E_RNA)
where:
Base-Base interactions energy: -69.987
where: short stacking energy: -49.765
Base-Backbone interact. energy: -0.001
local terms energy: -54.637388
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -6.731
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -124.314571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.314571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.314571 (E_RNA)
where:
Base-Base interactions energy: -61.457
where: short stacking energy: -46.649
Base-Backbone interact. energy: -0.006
local terms energy: -62.851454
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -93.821992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.821992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.821992 (E_RNA)
where:
Base-Base interactions energy: -45.082
where: short stacking energy: -44.567
Base-Backbone interact. energy: -0.193
local terms energy: -48.547292
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -222.335288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.335288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.335288 (E_RNA)
where:
Base-Base interactions energy: -152.278
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.301
local terms energy: -69.756567
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -104.337204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.337204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.337204 (E_RNA)
where:
Base-Base interactions energy: -59.193
where: short stacking energy: -42.896
Base-Backbone interact. energy: -0.154
local terms energy: -44.990951
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -1.534
flat angles P-C4'-P energy: -7.924
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -84.385436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.385436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.385436 (E_RNA)
where:
Base-Base interactions energy: -36.491
where: short stacking energy: -13.561
Base-Backbone interact. energy: -0.201
local terms energy: -47.693328
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: 1.910
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -236.168899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.168899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.168899 (E_RNA)
where:
Base-Base interactions energy: -158.357
where: short stacking energy: -75.085
Base-Backbone interact. energy: -0.001
local terms energy: -77.811622
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -18.956
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -188.505962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.505962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.505962 (E_RNA)
where:
Base-Base interactions energy: -128.153
where: short stacking energy: -50.421
Base-Backbone interact. energy: 1.519
local terms energy: -61.871688
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -175.459374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.459374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.459374 (E_RNA)
where:
Base-Base interactions energy: -109.680
where: short stacking energy: -54.486
Base-Backbone interact. energy: -0.724
local terms energy: -65.055056
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -185.045328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.045328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.045328 (E_RNA)
where:
Base-Base interactions energy: -122.763
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.235
local terms energy: -62.047746
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.004
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: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -124.796564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.796564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.796564 (E_RNA)
where:
Base-Base interactions energy: -74.618
where: short stacking energy: -46.300
Base-Backbone interact. energy: -0.385
local terms energy: -49.793272
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -108.308431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.308431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.308431 (E_RNA)
where:
Base-Base interactions energy: -53.953
where: short stacking energy: -32.484
Base-Backbone interact. energy: -0.466
local terms energy: -53.889298
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -11.297
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -213.692418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.692418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.692418 (E_RNA)
where:
Base-Base interactions energy: -152.293
where: short stacking energy: -65.137
Base-Backbone interact. energy: -0.068
local terms energy: -61.331769
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -10.902
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: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -108.472494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.472494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.472494 (E_RNA)
where:
Base-Base interactions energy: -58.655
where: short stacking energy: -44.566
Base-Backbone interact. energy: 1.539
local terms energy: -51.356350
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -99.813533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.813533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.813533 (E_RNA)
where:
Base-Base interactions energy: -61.089
where: short stacking energy: -22.620
Base-Backbone interact. energy: -0.478
local terms energy: -38.246174
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -98.024472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.024472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.024472 (E_RNA)
where:
Base-Base interactions energy: -49.275
where: short stacking energy: -32.533
Base-Backbone interact. energy: 0.326
local terms energy: -49.074695
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -219.816336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.816336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.816336 (E_RNA)
where:
Base-Base interactions energy: -144.017
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.356
local terms energy: -75.443550
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -18.770
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: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -194.797201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.797201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.797201 (E_RNA)
where:
Base-Base interactions energy: -135.640
where: short stacking energy: -52.398
Base-Backbone interact. energy: -0.131
local terms energy: -59.025875
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -6.502
flat angles P-C4'-P energy: -12.468
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: 3, replica: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -195.138972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.138972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.138972 (E_RNA)
where:
Base-Base interactions energy: -124.598
where: short stacking energy: -61.721
Base-Backbone interact. energy: -1.294
local terms energy: -69.246815
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -206.801070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.801070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.801070 (E_RNA)
where:
Base-Base interactions energy: -135.758
where: short stacking energy: -71.031
Base-Backbone interact. energy: -0.002
local terms energy: -71.041316
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -10.589
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: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -160.528842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.528842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.528842 (E_RNA)
where:
Base-Base interactions energy: -100.792
where: short stacking energy: -54.194
Base-Backbone interact. energy: -0.075
local terms energy: -59.661670
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -212.587075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.587075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.587075 (E_RNA)
where:
Base-Base interactions energy: -150.819
where: short stacking energy: -69.287
Base-Backbone interact. energy: -0.007
local terms energy: -61.760754
where:
bonds (distance) C4'-P energy: -7.352
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -82.969676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.969676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.969676 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -26.865
Base-Backbone interact. energy: -0.197
local terms energy: -53.690250
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -110.404164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.404164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.404164 (E_RNA)
where:
Base-Base interactions energy: -67.065
where: short stacking energy: -40.774
Base-Backbone interact. energy: -0.046
local terms energy: -43.293419
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -8.831
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -94.950723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.950723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.950723 (E_RNA)
where:
Base-Base interactions energy: -44.738
where: short stacking energy: -28.813
Base-Backbone interact. energy: 0.717
local terms energy: -50.929188
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -83.127113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.127113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.127113 (E_RNA)
where:
Base-Base interactions energy: -45.885
where: short stacking energy: -27.141
Base-Backbone interact. energy: 0.972
local terms energy: -38.214380
where:
bonds (distance) C4'-P energy: -7.065
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: 2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -195.289435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.289435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.289435 (E_RNA)
where:
Base-Base interactions energy: -141.306
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.223
local terms energy: -53.759949
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -7.349
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: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -225.300395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.300395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.300395 (E_RNA)
where:
Base-Base interactions energy: -159.421
where: short stacking energy: -67.994
Base-Backbone interact. energy: 0.108
local terms energy: -65.987280
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -220.965666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.965666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.965666 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.265
local terms energy: -63.954304
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -184.504064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.504064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.504064 (E_RNA)
where:
Base-Base interactions energy: -116.327
where: short stacking energy: -53.647
Base-Backbone interact. energy: -1.157
local terms energy: -67.020006
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -11.114
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: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -237.542698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.542698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.542698 (E_RNA)
where:
Base-Base interactions energy: -165.738
where: short stacking energy: -78.641
Base-Backbone interact. energy: -0.049
local terms energy: -71.754914
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -160.532432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.532432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.532432 (E_RNA)
where:
Base-Base interactions energy: -96.690
where: short stacking energy: -47.419
Base-Backbone interact. energy: -0.040
local terms energy: -63.802749
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -9.281
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: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -138.459429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.459429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.459429 (E_RNA)
where:
Base-Base interactions energy: -79.743
where: short stacking energy: -41.264
Base-Backbone interact. energy: -0.762
local terms energy: -57.953720
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -89.838325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.838325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.838325 (E_RNA)
where:
Base-Base interactions energy: -33.882
where: short stacking energy: -33.882
Base-Backbone interact. energy: 1.294
local terms energy: -57.250769
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -94.955986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.955986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.955986 (E_RNA)
where:
Base-Base interactions energy: -38.932
where: short stacking energy: -38.932
Base-Backbone interact. energy: -0.344
local terms energy: -55.680054
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -82.353233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.353233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.353233 (E_RNA)
where:
Base-Base interactions energy: -32.699
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.132
local terms energy: -49.522118
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -185.187596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.187596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.187596 (E_RNA)
where:
Base-Base interactions energy: -128.759
where: short stacking energy: -47.875
Base-Backbone interact. energy: -0.900
local terms energy: -55.528854
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -8.335
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: 9
Temperature: 0.950000
Total energy: -237.117593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.117593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.117593 (E_RNA)
where:
Base-Base interactions energy: -168.151
where: short stacking energy: -72.133
Base-Backbone interact. energy: -0.331
local terms energy: -68.636341
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -221.379864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.379864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.379864 (E_RNA)
where:
Base-Base interactions energy: -162.412
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.068
local terms energy: -58.900315
where:
bonds (distance) C4'-P energy: -7.042
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -232.029771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.029771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.029771 (E_RNA)
where:
Base-Base interactions energy: -162.584
where: short stacking energy: -72.594
Base-Backbone interact. energy: -0.007
local terms energy: -69.438341
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -19.987
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: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -180.740709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.740709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.740709 (E_RNA)
where:
Base-Base interactions energy: -113.195
where: short stacking energy: -54.231
Base-Backbone interact. energy: -0.931
local terms energy: -66.614230
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -157.644645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.644645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.644645 (E_RNA)
where:
Base-Base interactions energy: -99.169
where: short stacking energy: -52.653
Base-Backbone interact. energy: -0.115
local terms energy: -58.360660
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -141.636122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.636122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.636122 (E_RNA)
where:
Base-Base interactions energy: -81.470
where: short stacking energy: -40.557
Base-Backbone interact. energy: 0.681
local terms energy: -60.846873
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -94.098757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.098757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.098757 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.709
local terms energy: -60.667334
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -102.585518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.585518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.585518 (E_RNA)
where:
Base-Base interactions energy: -55.859
where: short stacking energy: -35.194
Base-Backbone interact. energy: 1.249
local terms energy: -47.974961
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -86.517811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.517811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.517811 (E_RNA)
where:
Base-Base interactions energy: -39.447
where: short stacking energy: -37.582
Base-Backbone interact. energy: -0.076
local terms energy: -46.994306
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -5.496
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -10.886
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -245.733959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.733959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.733959 (E_RNA)
where:
Base-Base interactions energy: -169.193
where: short stacking energy: -74.313
Base-Backbone interact. energy: -0.130
local terms energy: -76.410575
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -18.923
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: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -189.688846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.688846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.688846 (E_RNA)
where:
Base-Base interactions energy: -135.004
where: short stacking energy: -57.509
Base-Backbone interact. energy: -0.382
local terms energy: -54.302757
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -231.693595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.693595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.693595 (E_RNA)
where:
Base-Base interactions energy: -159.499
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.000
local terms energy: -72.194047
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -12.471
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: 10
Temperature: 1.050000
Total energy: -218.477444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.477444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.477444 (E_RNA)
where:
Base-Base interactions energy: -148.087
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.290
local terms energy: -70.100066
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -202.611259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.611259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.611259 (E_RNA)
where:
Base-Base interactions energy: -145.551
where: short stacking energy: -56.628
Base-Backbone interact. energy: -0.386
local terms energy: -56.673349
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -12.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -180.566019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.566019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.566019 (E_RNA)
where:
Base-Base interactions energy: -109.485
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.004
local terms energy: -71.077422
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -175.783510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.783510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.783510 (E_RNA)
where:
Base-Base interactions energy: -126.670
where: short stacking energy: -53.545
Base-Backbone interact. energy: 0.581
local terms energy: -49.693995
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -6.909
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -80.499549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.499549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.499549 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.110
local terms energy: -45.854597
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -7.432
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -5.780
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: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -82.132608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.132608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.132608 (E_RNA)
where:
Base-Base interactions energy: -40.413
where: short stacking energy: -21.038
Base-Backbone interact. energy: 0.101
local terms energy: -41.820677
where:
bonds (distance) C4'-P energy: -7.440
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: 1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -106.916892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.916892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.916892 (E_RNA)
where:
Base-Base interactions energy: -66.029
where: short stacking energy: -29.429
Base-Backbone interact. energy: -0.592
local terms energy: -40.295156
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -2.925
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -248.300228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.300228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.300228 (E_RNA)
where:
Base-Base interactions energy: -168.628
where: short stacking energy: -76.458
Base-Backbone interact. energy: -0.169
local terms energy: -79.503229
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -20.260
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: 2, replica: 10
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -240.151664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.151664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.151664 (E_RNA)
where:
Base-Base interactions energy: -170.946
where: short stacking energy: -79.732
Base-Backbone interact. energy: -0.018
local terms energy: -69.188253
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -189.260901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.260901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.260901 (E_RNA)
where:
Base-Base interactions energy: -126.594
where: short stacking energy: -49.203
Base-Backbone interact. energy: -0.099
local terms energy: -62.567423
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -12.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -226.389885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.389885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.389885 (E_RNA)
where:
Base-Base interactions energy: -159.161
where: short stacking energy: -66.331
Base-Backbone interact. energy: -0.003
local terms energy: -67.225582
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -9.986
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: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -203.285816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.285816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.285816 (E_RNA)
where:
Base-Base interactions energy: -140.336
where: short stacking energy: -67.832
Base-Backbone interact. energy: -0.008
local terms energy: -62.941938
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -19.179
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: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -196.680608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.680608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.680608 (E_RNA)
where:
Base-Base interactions energy: -135.690
where: short stacking energy: -56.300
Base-Backbone interact. energy: 0.604
local terms energy: -61.594430
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -159.294158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.294158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.294158 (E_RNA)
where:
Base-Base interactions energy: -93.815
where: short stacking energy: -54.073
Base-Backbone interact. energy: -0.014
local terms energy: -65.464694
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -11.661
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: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -86.988195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.988195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.988195 (E_RNA)
where:
Base-Base interactions energy: -44.230
where: short stacking energy: -40.531
Base-Backbone interact. energy: -0.156
local terms energy: -42.602453
where:
bonds (distance) C4'-P energy: -3.493
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -6.026
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -81.584174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.584174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.584174 (E_RNA)
where:
Base-Base interactions energy: -29.585
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.001
local terms energy: -51.998876
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -75.267312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.267312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.267312 (E_RNA)
where:
Base-Base interactions energy: -30.941
where: short stacking energy: -30.861
Base-Backbone interact. energy: -0.159
local terms energy: -44.166941
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -244.095283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.095283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.095283 (E_RNA)
where:
Base-Base interactions energy: -163.748
where: short stacking energy: -73.276
Base-Backbone interact. energy: -0.296
local terms energy: -80.051293
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -19.027
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: 2, replica: 10
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -247.360406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.360406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.360406 (E_RNA)
where:
Base-Base interactions energy: -172.434
where: short stacking energy: -70.939
Base-Backbone interact. energy: -0.913
local terms energy: -74.013388
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -222.510024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.510024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.510024 (E_RNA)
where:
Base-Base interactions energy: -154.305
where: short stacking energy: -61.395
Base-Backbone interact. energy: -0.881
local terms energy: -67.323711
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -16.115
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: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -194.603307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.603307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.603307 (E_RNA)
where:
Base-Base interactions energy: -129.993
where: short stacking energy: -55.112
Base-Backbone interact. energy: 0.045
local terms energy: -64.655099
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -216.608767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.608767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.608767 (E_RNA)
where:
Base-Base interactions energy: -148.428
where: short stacking energy: -68.717
Base-Backbone interact. energy: -0.980
local terms energy: -67.200839
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -15.678
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: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -173.824727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.824727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.824727 (E_RNA)
where:
Base-Base interactions energy: -115.565
where: short stacking energy: -50.974
Base-Backbone interact. energy: -0.588
local terms energy: -57.671432
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -11.303
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: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -160.479818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.479818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.479818 (E_RNA)
where:
Base-Base interactions energy: -95.363
where: short stacking energy: -48.628
Base-Backbone interact. energy: -0.163
local terms energy: -64.953489
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -95.817925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.817925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.817925 (E_RNA)
where:
Base-Base interactions energy: -37.627
where: short stacking energy: -35.574
Base-Backbone interact. energy: -0.160
local terms energy: -58.030697
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -9.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -84.727820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.727820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.727820 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -24.360
Base-Backbone interact. energy: -0.069
local terms energy: -42.953977
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -7.530
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -1.104
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: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -83.276464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.276464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.276464 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -22.035
Base-Backbone interact. energy: -0.951
local terms energy: -43.727874
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: 2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -248.776455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.776455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.776455 (E_RNA)
where:
Base-Base interactions energy: -170.962
where: short stacking energy: -76.945
Base-Backbone interact. energy: -0.002
local terms energy: -77.811846
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -19.542
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: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -229.625052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.625052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.625052 (E_RNA)
where:
Base-Base interactions energy: -155.875
where: short stacking energy: -68.108
Base-Backbone interact. energy: -0.154
local terms energy: -73.596557
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -230.050397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.050397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.050397 (E_RNA)
where:
Base-Base interactions energy: -162.206
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.009
local terms energy: -67.836219
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -20.755
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: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -219.683098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.683098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.683098 (E_RNA)
where:
Base-Base interactions energy: -148.017
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.002
local terms energy: -71.664271
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -187.488309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.488309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.488309 (E_RNA)
where:
Base-Base interactions energy: -125.856
where: short stacking energy: -57.153
Base-Backbone interact. energy: -0.694
local terms energy: -60.938544
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -12.737
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: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -175.424391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.424391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.424391 (E_RNA)
where:
Base-Base interactions energy: -108.988
where: short stacking energy: -53.656
Base-Backbone interact. energy: -0.666
local terms energy: -65.771201
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -14.806
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: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -180.101705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.101705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.101705 (E_RNA)
where:
Base-Base interactions energy: -119.805
where: short stacking energy: -57.096
Base-Backbone interact. energy: -0.165
local terms energy: -60.132057
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -7.091
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: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -76.338404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.338404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.338404 (E_RNA)
where:
Base-Base interactions energy: -31.767
where: short stacking energy: -31.767
Base-Backbone interact. energy: -0.430
local terms energy: -44.141526
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -4.344
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: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -91.712524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.712524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.712524 (E_RNA)
where:
Base-Base interactions energy: -42.356
where: short stacking energy: -42.356
Base-Backbone interact. energy: -0.100
local terms energy: -49.255862
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -10.925
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: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -78.527003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.527003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.527003 (E_RNA)
where:
Base-Base interactions energy: -24.450
where: short stacking energy: -24.450
Base-Backbone interact. energy: -0.173
local terms energy: -53.903185
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.476
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: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -232.245832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.245832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.245832 (E_RNA)
where:
Base-Base interactions energy: -162.835
where: short stacking energy: -68.825
Base-Backbone interact. energy: -0.023
local terms energy: -69.386973
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.681
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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -243.490743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.490743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.490743 (E_RNA)
where:
Base-Base interactions energy: -165.269
where: short stacking energy: -76.597
Base-Backbone interact. energy: -0.776
local terms energy: -77.445798
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -22.514
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: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -235.583262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.583262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.583262 (E_RNA)
where:
Base-Base interactions energy: -164.835
where: short stacking energy: -71.308
Base-Backbone interact. energy: -0.113
local terms energy: -70.635041
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -216.987560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.987560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.987560 (E_RNA)
where:
Base-Base interactions energy: -149.876
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.933
local terms energy: -66.179054
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -11.393
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: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -165.024361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.024361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.024361 (E_RNA)
where:
Base-Base interactions energy: -105.530
where: short stacking energy: -52.077
Base-Backbone interact. energy: -0.106
local terms energy: -59.388440
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -9.377
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: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -181.958966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.958966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.958966 (E_RNA)
where:
Base-Base interactions energy: -115.246
where: short stacking energy: -50.287
Base-Backbone interact. energy: -1.055
local terms energy: -65.658220
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.197
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: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -92.407631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.407631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.407631 (E_RNA)
where:
Base-Base interactions energy: -38.728
where: short stacking energy: -38.728
Base-Backbone interact. energy: -0.221
local terms energy: -53.458382
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -4.489
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: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -165.301843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.301843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.301843 (E_RNA)
where:
Base-Base interactions energy: -106.465
where: short stacking energy: -49.487
Base-Backbone interact. energy: -0.184
local terms energy: -58.652844
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -11.686
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: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -73.341285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.341285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.341285 (E_RNA)
where:
Base-Base interactions energy: -36.853
where: short stacking energy: -25.100
Base-Backbone interact. energy: -0.284
local terms energy: -36.203724
where:
bonds (distance) C4'-P energy: -6.952
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -6.276
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -2.937
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: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -115.905475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.905475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.905475 (E_RNA)
where:
Base-Base interactions energy: -60.331
where: short stacking energy: -35.774
Base-Backbone interact. energy: 1.115
local terms energy: -56.689798
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -8.767
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -240.743423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.743423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.743423 (E_RNA)
where:
Base-Base interactions energy: -165.154
where: short stacking energy: -70.496
Base-Backbone interact. energy: -0.021
local terms energy: -75.567670
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -19.220
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: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -242.642970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.642970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.642970 (E_RNA)
where:
Base-Base interactions energy: -163.249
where: short stacking energy: -77.962
Base-Backbone interact. energy: -0.054
local terms energy: -79.339584
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -241.683053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.683053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.683053 (E_RNA)
where:
Base-Base interactions energy: -170.180
where: short stacking energy: -74.392
Base-Backbone interact. energy: 0.997
local terms energy: -72.499976
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -214.193404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.193404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.193404 (E_RNA)
where:
Base-Base interactions energy: -152.867
where: short stacking energy: -60.258
Base-Backbone interact. energy: -0.457
local terms energy: -60.868934
where:
bonds (distance) C4'-P energy: -5.935
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -11.666
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: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -174.637273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.637273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.637273 (E_RNA)
where:
Base-Base interactions energy: -108.539
where: short stacking energy: -50.299
Base-Backbone interact. energy: -0.001
local terms energy: -66.097653
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -12.779
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: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -182.438563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.438563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.438563 (E_RNA)
where:
Base-Base interactions energy: -115.829
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.098
local terms energy: -66.511078
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -120.739086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.739086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.739086 (E_RNA)
where:
Base-Base interactions energy: -68.904
where: short stacking energy: -38.014
Base-Backbone interact. energy: -0.177
local terms energy: -51.657526
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -164.368061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.368061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.368061 (E_RNA)
where:
Base-Base interactions energy: -104.893
where: short stacking energy: -42.229
Base-Backbone interact. energy: -0.006
local terms energy: -59.468487
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -14.252
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: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -86.457841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.457841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.457841 (E_RNA)
where:
Base-Base interactions energy: -29.997
where: short stacking energy: -22.667
Base-Backbone interact. energy: -0.185
local terms energy: -56.275562
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -114.358184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.358184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.358184 (E_RNA)
where:
Base-Base interactions energy: -64.928
where: short stacking energy: -42.317
Base-Backbone interact. energy: -0.004
local terms energy: -49.426170
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -7.454
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -12.533
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: 16
Temperature: 0.900000
Total energy: -242.361169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.361169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.361169 (E_RNA)
where:
Base-Base interactions energy: -168.954
where: short stacking energy: -71.395
Base-Backbone interact. energy: -0.001
local terms energy: -73.405639
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -17.484
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: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -237.410989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.410989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.410989 (E_RNA)
where:
Base-Base interactions energy: -164.570
where: short stacking energy: -78.271
Base-Backbone interact. energy: -0.016
local terms energy: -72.824788
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -18.308
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: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -230.139454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.139454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.139454 (E_RNA)
where:
Base-Base interactions energy: -163.529
where: short stacking energy: -65.770
Base-Backbone interact. energy: -0.004
local terms energy: -66.606206
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -238.527680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.527680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.527680 (E_RNA)
where:
Base-Base interactions energy: -171.168
where: short stacking energy: -66.127
Base-Backbone interact. energy: -0.110
local terms energy: -67.249696
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -181.770460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.770460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.770460 (E_RNA)
where:
Base-Base interactions energy: -120.039
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.228
local terms energy: -61.503201
where:
bonds (distance) C4'-P energy: -7.414
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -11.751
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: 16
Temperature: 1.150000
Total energy: -168.216416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.216416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.216416 (E_RNA)
where:
Base-Base interactions energy: -104.709
where: short stacking energy: -48.916
Base-Backbone interact. energy: -0.509
local terms energy: -62.997543
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -215.071226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.071226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.071226 (E_RNA)
where:
Base-Base interactions energy: -151.358
where: short stacking energy: -72.455
Base-Backbone interact. energy: -0.034
local terms energy: -63.679394
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -6.339
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: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -80.012695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.012695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.012695 (E_RNA)
where:
Base-Base interactions energy: -27.149
where: short stacking energy: -24.446
Base-Backbone interact. energy: 0.058
local terms energy: -52.921258
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -74.952271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.952271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.952271 (E_RNA)
where:
Base-Base interactions energy: -28.611
where: short stacking energy: -26.932
Base-Backbone interact. energy: -0.095
local terms energy: -46.245559
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: 0.164
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: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -80.080348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.080348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.080348 (E_RNA)
where:
Base-Base interactions energy: -28.909
where: short stacking energy: -26.776
Base-Backbone interact. energy: -0.104
local terms energy: -51.066544
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -4.716
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: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -244.774727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.774727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.774727 (E_RNA)
where:
Base-Base interactions energy: -168.839
where: short stacking energy: -70.746
Base-Backbone interact. energy: -0.455
local terms energy: -75.481413
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -229.618175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.618175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.618175 (E_RNA)
where:
Base-Base interactions energy: -155.676
where: short stacking energy: -68.312
Base-Backbone interact. energy: 0.291
local terms energy: -74.233206
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -231.033852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.033852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.033852 (E_RNA)
where:
Base-Base interactions energy: -159.534
where: short stacking energy: -70.479
Base-Backbone interact. energy: -0.036
local terms energy: -71.463828
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -18.432
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: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -232.308688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.308688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.308688 (E_RNA)
where:
Base-Base interactions energy: -160.545
where: short stacking energy: -71.730
Base-Backbone interact. energy: -0.690
local terms energy: -71.073729
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -199.571255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.571255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.571255 (E_RNA)
where:
Base-Base interactions energy: -132.538
where: short stacking energy: -55.408
Base-Backbone interact. energy: -0.170
local terms energy: -66.863687
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -218.011805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.011805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.011805 (E_RNA)
where:
Base-Base interactions energy: -155.641
where: short stacking energy: -70.982
Base-Backbone interact. energy: -0.382
local terms energy: -61.988789
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -17.752
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -159.156718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.156718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.156718 (E_RNA)
where:
Base-Base interactions energy: -104.271
where: short stacking energy: -53.218
Base-Backbone interact. energy: -0.056
local terms energy: -54.829667
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -5.627
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: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -80.482117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.482117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.482117 (E_RNA)
where:
Base-Base interactions energy: -24.672
where: short stacking energy: -25.072
Base-Backbone interact. energy: -0.157
local terms energy: -55.652986
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -89.120053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.120053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.120053 (E_RNA)
where:
Base-Base interactions energy: -48.624
where: short stacking energy: -25.354
Base-Backbone interact. energy: -0.141
local terms energy: -40.354423
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: 3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -65.807889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.807889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.807889 (E_RNA)
where:
Base-Base interactions energy: -22.665
where: short stacking energy: -19.152
Base-Backbone interact. energy: -0.143
local terms energy: -42.999474
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -6.870
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: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -246.946568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.946568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.946568 (E_RNA)
where:
Base-Base interactions energy: -169.356
where: short stacking energy: -72.536
Base-Backbone interact. energy: -0.004
local terms energy: -77.585901
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -224.688056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.688056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.688056 (E_RNA)
where:
Base-Base interactions energy: -148.721
where: short stacking energy: -64.868
Base-Backbone interact. energy: -0.005
local terms energy: -75.961825
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -20.235
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: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -241.149912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.149912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.149912 (E_RNA)
where:
Base-Base interactions energy: -170.795
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.787
local terms energy: -69.567945
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -17.578
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: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -215.830521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.830521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.830521 (E_RNA)
where:
Base-Base interactions energy: -146.043
where: short stacking energy: -66.400
Base-Backbone interact. energy: -0.001
local terms energy: -69.786837
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -20.443
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: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -234.658582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.658582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.658582 (E_RNA)
where:
Base-Base interactions energy: -154.815
where: short stacking energy: -70.066
Base-Backbone interact. energy: -0.246
local terms energy: -79.596953
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -21.548
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: 18
Temperature: 1.150000
Total energy: -199.369731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.369731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.369731 (E_RNA)
where:
Base-Base interactions energy: -128.372
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.005
local terms energy: -70.993513
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -154.113926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.113926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.113926 (E_RNA)
where:
Base-Base interactions energy: -95.468
where: short stacking energy: -49.302
Base-Backbone interact. energy: 1.760
local terms energy: -60.405624
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -82.199223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.199223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.199223 (E_RNA)
where:
Base-Base interactions energy: -25.157
where: short stacking energy: -24.085
Base-Backbone interact. energy: -1.279
local terms energy: -55.763003
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -81.055912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.055912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.055912 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -28.976
Base-Backbone interact. energy: -0.090
local terms energy: -44.831381
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -4.899
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: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -84.918538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.918538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.918538 (E_RNA)
where:
Base-Base interactions energy: -39.350
where: short stacking energy: -39.350
Base-Backbone interact. energy: -0.430
local terms energy: -45.138302
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: 1.567
tors. eta vs tors. theta energy: -9.621
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: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -251.836745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.836745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.836745 (E_RNA)
where:
Base-Base interactions energy: -179.282
where: short stacking energy: -72.248
Base-Backbone interact. energy: 0.013
local terms energy: -72.567425
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -243.665298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.665298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.665298 (E_RNA)
where:
Base-Base interactions energy: -172.098
where: short stacking energy: -72.574
Base-Backbone interact. energy: -0.063
local terms energy: -71.504047
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -221.122623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.122623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.122623 (E_RNA)
where:
Base-Base interactions energy: -152.462
where: short stacking energy: -72.542
Base-Backbone interact. energy: 0.778
local terms energy: -69.438766
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -225.606013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.606013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.606013 (E_RNA)
where:
Base-Base interactions energy: -161.885
where: short stacking energy: -66.210
Base-Backbone interact. energy: 0.303
local terms energy: -64.023972
where:
bonds (distance) C4'-P energy: -6.891
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -218.678603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.678603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.678603 (E_RNA)
where:
Base-Base interactions energy: -150.228
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.162
local terms energy: -68.288732
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -163.372665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.372665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.372665 (E_RNA)
where:
Base-Base interactions energy: -103.884
where: short stacking energy: -45.576
Base-Backbone interact. energy: -0.109
local terms energy: -59.379736
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -169.736161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.736161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.736161 (E_RNA)
where:
Base-Base interactions energy: -110.112
where: short stacking energy: -49.632
Base-Backbone interact. energy: -0.405
local terms energy: -59.219523
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -10.686
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: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -138.707688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.707688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.707688 (E_RNA)
where:
Base-Base interactions energy: -88.146
where: short stacking energy: -30.458
Base-Backbone interact. energy: -1.064
local terms energy: -49.497799
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -7.776
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -76.338098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.338098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.338098 (E_RNA)
where:
Base-Base interactions energy: -26.057
where: short stacking energy: -26.057
Base-Backbone interact. energy: -0.132
local terms energy: -50.148927
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -79.646299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.646299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.646299 (E_RNA)
where:
Base-Base interactions energy: -31.504
where: short stacking energy: -31.504
Base-Backbone interact. energy: -0.152
local terms energy: -47.990496
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -5.949
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: 1, replica: 10
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -244.319110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.319110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.319110 (E_RNA)
where:
Base-Base interactions energy: -174.593
where: short stacking energy: -73.534
Base-Backbone interact. energy: 0.225
local terms energy: -69.951546
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -17.924
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: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -242.328409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.328409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.328409 (E_RNA)
where:
Base-Base interactions energy: -167.861
where: short stacking energy: -81.731
Base-Backbone interact. energy: -0.068
local terms energy: -74.399423
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -23.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -237.421758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.421758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.421758 (E_RNA)
where:
Base-Base interactions energy: -162.369
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.426
local terms energy: -74.627053
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -210.795425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.795425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.795425 (E_RNA)
where:
Base-Base interactions energy: -139.141
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.635
local terms energy: -71.019282
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -20.877
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: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -205.907347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.907347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.907347 (E_RNA)
where:
Base-Base interactions energy: -134.691
where: short stacking energy: -64.431
Base-Backbone interact. energy: -0.002
local terms energy: -71.213753
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -186.751275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.751275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.751275 (E_RNA)
where:
Base-Base interactions energy: -123.776
where: short stacking energy: -65.757
Base-Backbone interact. energy: -0.001
local terms energy: -62.973955
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -183.389007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.389007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.389007 (E_RNA)
where:
Base-Base interactions energy: -127.135
where: short stacking energy: -45.455
Base-Backbone interact. energy: 0.149
local terms energy: -56.402755
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -9.740
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: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -154.163171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.163171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.163171 (E_RNA)
where:
Base-Base interactions energy: -97.908
where: short stacking energy: -40.394
Base-Backbone interact. energy: -0.078
local terms energy: -56.177055
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -78.196024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.196024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.196024 (E_RNA)
where:
Base-Base interactions energy: -34.066
where: short stacking energy: -26.327
Base-Backbone interact. energy: 0.199
local terms energy: -44.328641
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -2.361
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -85.132320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.132320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.132320 (E_RNA)
where:
Base-Base interactions energy: -38.069
where: short stacking energy: -37.507
Base-Backbone interact. energy: -0.125
local terms energy: -46.938800
where:
bonds (distance) C4'-P energy: -7.981
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -3.925
tors. eta vs tors. theta energy: -8.054
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: 10
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -237.519446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.519446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.519446 (E_RNA)
where:
Base-Base interactions energy: -169.117
where: short stacking energy: -71.864
Base-Backbone interact. energy: -0.006
local terms energy: -68.396487
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -11.318
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: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -244.691720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.691720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.691720 (E_RNA)
where:
Base-Base interactions energy: -171.282
where: short stacking energy: -78.489
Base-Backbone interact. energy: -0.830
local terms energy: -72.579613
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -21.982
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: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -236.642160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.642160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.642160 (E_RNA)
where:
Base-Base interactions energy: -160.324
where: short stacking energy: -72.265
Base-Backbone interact. energy: -0.690
local terms energy: -75.627825
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -215.966909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.966909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.966909 (E_RNA)
where:
Base-Base interactions energy: -144.452
where: short stacking energy: -73.226
Base-Backbone interact. energy: -0.000
local terms energy: -71.514530
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -20.076
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: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -201.430840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.430840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.430840 (E_RNA)
where:
Base-Base interactions energy: -132.250
where: short stacking energy: -62.253
Base-Backbone interact. energy: -0.019
local terms energy: -69.161235
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -17.688
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: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -209.263117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.263117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.263117 (E_RNA)
where:
Base-Base interactions energy: -139.169
where: short stacking energy: -60.584
Base-Backbone interact. energy: -0.620
local terms energy: -69.473971
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.638
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: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -164.188442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.188442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.188442 (E_RNA)
where:
Base-Base interactions energy: -107.399
where: short stacking energy: -52.082
Base-Backbone interact. energy: -0.029
local terms energy: -56.761064
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -152.152784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.152784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.152784 (E_RNA)
where:
Base-Base interactions energy: -99.850
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.696
local terms energy: -51.606885
where:
bonds (distance) C4'-P energy: -4.792
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -5.785
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: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -89.556247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.556247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.556247 (E_RNA)
where:
Base-Base interactions energy: -33.250
where: short stacking energy: -33.250
Base-Backbone interact. energy: -0.063
local terms energy: -56.244209
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -71.151481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.151481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.151481 (E_RNA)
where:
Base-Base interactions energy: -20.215
where: short stacking energy: -15.006
Base-Backbone interact. energy: 0.495
local terms energy: -51.431978
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -245.766648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.766648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.766648 (E_RNA)
where:
Base-Base interactions energy: -169.427
where: short stacking energy: -80.896
Base-Backbone interact. energy: -0.000
local terms energy: -76.339623
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -237.087911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.087911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.087911 (E_RNA)
where:
Base-Base interactions energy: -170.172
where: short stacking energy: -72.532
Base-Backbone interact. energy: -0.006
local terms energy: -66.909677
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -18.706
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: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -233.119289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.119289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.119289 (E_RNA)
where:
Base-Base interactions energy: -166.358
where: short stacking energy: -68.995
Base-Backbone interact. energy: -0.240
local terms energy: -66.520521
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -218.376054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.376054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.376054 (E_RNA)
where:
Base-Base interactions energy: -152.157
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.059
local terms energy: -66.160445
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -228.514890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.514890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.514890 (E_RNA)
where:
Base-Base interactions energy: -165.948
where: short stacking energy: -71.954
Base-Backbone interact. energy: -0.610
local terms energy: -61.956559
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -8.338
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -17.685
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: 22
Temperature: 1.150000
Total energy: -215.228496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.228496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.228496 (E_RNA)
where:
Base-Base interactions energy: -149.534
where: short stacking energy: -74.798
Base-Backbone interact. energy: -0.009
local terms energy: -65.685426
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -2.796
tors. eta vs tors. theta energy: -20.386
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: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -156.230982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.230982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.230982 (E_RNA)
where:
Base-Base interactions energy: -90.075
where: short stacking energy: -47.980
Base-Backbone interact. energy: -0.186
local terms energy: -65.970117
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -148.557539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.557539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.557539 (E_RNA)
where:
Base-Base interactions energy: -87.878
where: short stacking energy: -45.132
Base-Backbone interact. energy: -0.515
local terms energy: -60.163855
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -9.928
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: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -88.352091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.352091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.352091 (E_RNA)
where:
Base-Base interactions energy: -36.133
where: short stacking energy: -32.931
Base-Backbone interact. energy: -0.020
local terms energy: -52.199123
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -84.254381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.254381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.254381 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -35.150
Base-Backbone interact. energy: -0.237
local terms energy: -47.045899
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -6.765
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -250.664467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.664467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.664467 (E_RNA)
where:
Base-Base interactions energy: -169.034
where: short stacking energy: -75.106
Base-Backbone interact. energy: -0.011
local terms energy: -81.620053
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -238.384780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.384780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.384780 (E_RNA)
where:
Base-Base interactions energy: -167.197
where: short stacking energy: -71.147
Base-Backbone interact. energy: -0.165
local terms energy: -71.022760
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -10.463
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: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -230.850691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.850691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.850691 (E_RNA)
where:
Base-Base interactions energy: -167.080
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.296
local terms energy: -63.474740
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -14.673
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -236.613464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.613464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.613464 (E_RNA)
where:
Base-Base interactions energy: -162.022
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.221
local terms energy: -74.370478
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -215.150121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.150121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.150121 (E_RNA)
where:
Base-Base interactions energy: -147.342
where: short stacking energy: -62.727
Base-Backbone interact. energy: -0.102
local terms energy: -67.705984
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -15.882
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: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -194.699135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.699135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.699135 (E_RNA)
where:
Base-Base interactions energy: -126.857
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.149
local terms energy: -67.693416
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -167.873499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.873499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.873499 (E_RNA)
where:
Base-Base interactions energy: -116.965
where: short stacking energy: -48.136
Base-Backbone interact. energy: 0.749
local terms energy: -51.657324
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -11.630
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: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -84.324655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.324655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.324655 (E_RNA)
where:
Base-Base interactions energy: -38.550
where: short stacking energy: -19.237
Base-Backbone interact. energy: -0.286
local terms energy: -45.488222
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: 0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -131.039968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.039968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.039968 (E_RNA)
where:
Base-Base interactions energy: -80.718
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.171
local terms energy: -50.151112
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -5.946
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: 23
Temperature: 1.350000
Total energy: -76.830161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.830161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.830161 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -22.479
Base-Backbone interact. energy: 1.071
local terms energy: -41.025176
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -246.895350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.895350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.895350 (E_RNA)
where:
Base-Base interactions energy: -167.918
where: short stacking energy: -73.172
Base-Backbone interact. energy: -1.289
local terms energy: -77.688887
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -243.447522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.447522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.447522 (E_RNA)
where:
Base-Base interactions energy: -175.496
where: short stacking energy: -77.357
Base-Backbone interact. energy: -0.004
local terms energy: -67.947311
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -238.500132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.500132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.500132 (E_RNA)
where:
Base-Base interactions energy: -162.466
where: short stacking energy: -71.246
Base-Backbone interact. energy: -0.494
local terms energy: -75.539613
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -233.525839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.525839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.525839 (E_RNA)
where:
Base-Base interactions energy: -156.637
where: short stacking energy: -71.881
Base-Backbone interact. energy: -0.421
local terms energy: -76.468376
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -209.580778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.580778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.580778 (E_RNA)
where:
Base-Base interactions energy: -146.265
where: short stacking energy: -63.222
Base-Backbone interact. energy: -0.074
local terms energy: -63.241575
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -9.546
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: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -194.358935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.358935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.358935 (E_RNA)
where:
Base-Base interactions energy: -132.324
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.598
local terms energy: -61.436974
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -9.672
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: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -98.970238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.970238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.970238 (E_RNA)
where:
Base-Base interactions energy: -41.819
where: short stacking energy: -41.819
Base-Backbone interact. energy: -0.106
local terms energy: -57.045569
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -8.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -177.600008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.600008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.600008 (E_RNA)
where:
Base-Base interactions energy: -117.458
where: short stacking energy: -59.179
Base-Backbone interact. energy: -0.045
local terms energy: -60.097176
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -9.297
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: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -91.201306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.201306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.201306 (E_RNA)
where:
Base-Base interactions energy: -44.274
where: short stacking energy: -19.581
Base-Backbone interact. energy: -0.008
local terms energy: -46.919019
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -80.828036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.828036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.828036 (E_RNA)
where:
Base-Base interactions energy: -28.844
where: short stacking energy: -28.109
Base-Backbone interact. energy: 0.152
local terms energy: -52.135993
where:
bonds (distance) C4'-P energy: -8.522
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -241.008781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.008781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.008781 (E_RNA)
where:
Base-Base interactions energy: -164.568
where: short stacking energy: -76.108
Base-Backbone interact. energy: -0.636
local terms energy: -75.805277
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -22.047
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -240.221097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.221097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.221097 (E_RNA)
where:
Base-Base interactions energy: -163.714
where: short stacking energy: -71.667
Base-Backbone interact. energy: -0.725
local terms energy: -75.782694
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -19.977
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: 25
Temperature: 1.000000
Total energy: -239.675579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.675579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.675579 (E_RNA)
where:
Base-Base interactions energy: -169.872
where: short stacking energy: -72.893
Base-Backbone interact. energy: -0.463
local terms energy: -69.340545
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -222.359452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.359452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.359452 (E_RNA)
where:
Base-Base interactions energy: -154.533
where: short stacking energy: -73.843
Base-Backbone interact. energy: -0.014
local terms energy: -67.812309
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -229.378203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.378203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.378203 (E_RNA)
where:
Base-Base interactions energy: -161.332
where: short stacking energy: -67.158
Base-Backbone interact. energy: 0.324
local terms energy: -68.370640
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -200.596749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.596749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.596749 (E_RNA)
where:
Base-Base interactions energy: -143.952
where: short stacking energy: -55.943
Base-Backbone interact. energy: -0.101
local terms energy: -56.544218
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -86.479797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.479797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.479797 (E_RNA)
where:
Base-Base interactions energy: -38.506
where: short stacking energy: -26.532
Base-Backbone interact. energy: -0.154
local terms energy: -47.819783
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -179.843568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.843568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.843568 (E_RNA)
where:
Base-Base interactions energy: -118.990
where: short stacking energy: -54.593
Base-Backbone interact. energy: 0.178
local terms energy: -61.031212
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -14.225
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: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -84.331496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.331496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.331496 (E_RNA)
where:
Base-Base interactions energy: -36.343
where: short stacking energy: -36.343
Base-Backbone interact. energy: -0.120
local terms energy: -47.867925
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -76.901912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.901912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.901912 (E_RNA)
where:
Base-Base interactions energy: -24.550
where: short stacking energy: -24.550
Base-Backbone interact. energy: -0.765
local terms energy: -51.586564
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -247.565762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.565762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.565762 (E_RNA)
where:
Base-Base interactions energy: -169.110
where: short stacking energy: -79.930
Base-Backbone interact. energy: 0.657
local terms energy: -79.112585
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -20.292
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: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -238.259298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.259298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.259298 (E_RNA)
where:
Base-Base interactions energy: -167.535
where: short stacking energy: -60.371
Base-Backbone interact. energy: -0.158
local terms energy: -70.565873
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -9.964
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: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -238.606585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.606585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.606585 (E_RNA)
where:
Base-Base interactions energy: -164.951
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.070
local terms energy: -73.585393
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -15.683
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: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -218.214072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.214072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.214072 (E_RNA)
where:
Base-Base interactions energy: -149.724
where: short stacking energy: -70.629
Base-Backbone interact. energy: -0.000
local terms energy: -68.490160
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -226.835072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.835072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.835072 (E_RNA)
where:
Base-Base interactions energy: -159.774
where: short stacking energy: -71.767
Base-Backbone interact. energy: -0.001
local terms energy: -67.060636
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -18.473
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: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -213.441238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.441238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.441238 (E_RNA)
where:
Base-Base interactions energy: -151.808
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.006
local terms energy: -61.627159
where:
bonds (distance) C4'-P energy: -7.717
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -18.821
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: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -192.515011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.515011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.515011 (E_RNA)
where:
Base-Base interactions energy: -141.994
where: short stacking energy: -61.107
Base-Backbone interact. energy: -0.082
local terms energy: -50.439074
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -5.226
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: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -112.660152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.660152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.660152 (E_RNA)
where:
Base-Base interactions energy: -70.404
where: short stacking energy: -31.678
Base-Backbone interact. energy: 0.051
local terms energy: -42.307257
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -1.578
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: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -110.689873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.689873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.689873 (E_RNA)
where:
Base-Base interactions energy: -61.608
where: short stacking energy: -39.517
Base-Backbone interact. energy: -0.236
local terms energy: -48.846610
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -6.560
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: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -71.887409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.887409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.887409 (E_RNA)
where:
Base-Base interactions energy: -27.007
where: short stacking energy: -27.196
Base-Backbone interact. energy: 0.689
local terms energy: -45.569494
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -8.933
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -248.435398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.435398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.435398 (E_RNA)
where:
Base-Base interactions energy: -172.989
where: short stacking energy: -75.527
Base-Backbone interact. energy: -0.000
local terms energy: -75.446557
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -19.937
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: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -245.473034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.473034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.473034 (E_RNA)
where:
Base-Base interactions energy: -172.684
where: short stacking energy: -81.577
Base-Backbone interact. energy: -0.093
local terms energy: -72.696705
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -238.922450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.922450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.922450 (E_RNA)
where:
Base-Base interactions energy: -165.896
where: short stacking energy: -74.018
Base-Backbone interact. energy: -1.010
local terms energy: -72.016011
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -211.493257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.493257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.493257 (E_RNA)
where:
Base-Base interactions energy: -137.174
where: short stacking energy: -67.421
Base-Backbone interact. energy: -0.001
local terms energy: -74.318480
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -12.572
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: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -203.223144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.223144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223144 (E_RNA)
where:
Base-Base interactions energy: -136.868
where: short stacking energy: -59.804
Base-Backbone interact. energy: -0.060
local terms energy: -66.295133
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -205.742440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.742440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.742440 (E_RNA)
where:
Base-Base interactions energy: -137.590
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.116
local terms energy: -68.035828
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -13.586
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: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -193.335794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.335794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.335794 (E_RNA)
where:
Base-Base interactions energy: -130.203
where: short stacking energy: -49.558
Base-Backbone interact. energy: -0.168
local terms energy: -62.964712
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -149.076811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.076811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.076811 (E_RNA)
where:
Base-Base interactions energy: -85.202
where: short stacking energy: -46.129
Base-Backbone interact. energy: -0.169
local terms energy: -63.705897
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -11.063
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: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -99.042339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.042339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.042339 (E_RNA)
where:
Base-Base interactions energy: -42.680
where: short stacking energy: -34.929
Base-Backbone interact. energy: -0.169
local terms energy: -56.193694
where:
bonds (distance) C4'-P energy: -7.753
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -88.159789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.159789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.159789 (E_RNA)
where:
Base-Base interactions energy: -32.433
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.310
local terms energy: -55.416974
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -246.034095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.034095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.034095 (E_RNA)
where:
Base-Base interactions energy: -171.876
where: short stacking energy: -74.973
Base-Backbone interact. energy: -0.004
local terms energy: -74.154852
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -21.142
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: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -240.151753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.151753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.151753 (E_RNA)
where:
Base-Base interactions energy: -164.387
where: short stacking energy: -75.512
Base-Backbone interact. energy: -0.004
local terms energy: -75.760076
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -243.806312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.806312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.806312 (E_RNA)
where:
Base-Base interactions energy: -170.010
where: short stacking energy: -77.702
Base-Backbone interact. energy: -1.512
local terms energy: -72.284345
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -229.240040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.240040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.240040 (E_RNA)
where:
Base-Base interactions energy: -158.569
where: short stacking energy: -70.842
Base-Backbone interact. energy: 0.356
local terms energy: -71.027672
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -19.217
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: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -197.152372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.152372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.152372 (E_RNA)
where:
Base-Base interactions energy: -131.968
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.659
local terms energy: -64.525546
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -8.921
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: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -201.116211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.116211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.116211 (E_RNA)
where:
Base-Base interactions energy: -144.849
where: short stacking energy: -56.018
Base-Backbone interact. energy: 0.427
local terms energy: -56.693809
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -192.656626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.656626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.656626 (E_RNA)
where:
Base-Base interactions energy: -125.100
where: short stacking energy: -54.066
Base-Backbone interact. energy: -0.167
local terms energy: -67.389699
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -9.921
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: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -153.139022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.139022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.139022 (E_RNA)
where:
Base-Base interactions energy: -96.849
where: short stacking energy: -49.633
Base-Backbone interact. energy: -0.011
local terms energy: -56.278393
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -5.301
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: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -75.095456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.095456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.095456 (E_RNA)
where:
Base-Base interactions energy: -26.622
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.054
local terms energy: -48.419751
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -91.936082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.936082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.936082 (E_RNA)
where:
Base-Base interactions energy: -35.450
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.594
local terms energy: -55.892501
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -247.545408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.545408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.545408 (E_RNA)
where:
Base-Base interactions energy: -172.354
where: short stacking energy: -80.752
Base-Backbone interact. energy: -0.008
local terms energy: -75.182984
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -243.781952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.781952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.781952 (E_RNA)
where:
Base-Base interactions energy: -168.708
where: short stacking energy: -78.250
Base-Backbone interact. energy: -0.159
local terms energy: -74.915469
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -19.168
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: 29
Temperature: 1.000000
Total energy: -234.517239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.517239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.517239 (E_RNA)
where:
Base-Base interactions energy: -160.321
where: short stacking energy: -76.136
Base-Backbone interact. energy: -0.335
local terms energy: -73.861666
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -235.546174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.546174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.546174 (E_RNA)
where:
Base-Base interactions energy: -161.442
where: short stacking energy: -71.210
Base-Backbone interact. energy: -0.211
local terms energy: -73.893527
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -194.634721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.634721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.634721 (E_RNA)
where:
Base-Base interactions energy: -129.807
where: short stacking energy: -58.705
Base-Backbone interact. energy: -0.105
local terms energy: -64.722861
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -14.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -216.846501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.846501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.846501 (E_RNA)
where:
Base-Base interactions energy: -148.631
where: short stacking energy: -67.803
Base-Backbone interact. energy: -0.055
local terms energy: -68.160464
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -15.484
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: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -188.898969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.898969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.898969 (E_RNA)
where:
Base-Base interactions energy: -121.259
where: short stacking energy: -56.043
Base-Backbone interact. energy: -0.080
local terms energy: -67.560031
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -185.385480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.385480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.385480 (E_RNA)
where:
Base-Base interactions energy: -125.422
where: short stacking energy: -57.185
Base-Backbone interact. energy: 1.003
local terms energy: -60.966839
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -10.575
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: 29
Temperature: 1.300000
Total energy: -84.473141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.473141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.473141 (E_RNA)
where:
Base-Base interactions energy: -33.942
where: short stacking energy: -32.003
Base-Backbone interact. energy: -0.032
local terms energy: -50.498918
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -72.859119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.859119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.859119 (E_RNA)
where:
Base-Base interactions energy: -40.342
where: short stacking energy: -24.207
Base-Backbone interact. energy: -0.526
local terms energy: -31.991315
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: 2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -242.949815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.949815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.949815 (E_RNA)
where:
Base-Base interactions energy: -169.743
where: short stacking energy: -71.794
Base-Backbone interact. energy: -0.634
local terms energy: -72.572318
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -244.903564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.903564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.903564 (E_RNA)
where:
Base-Base interactions energy: -167.033
where: short stacking energy: -73.955
Base-Backbone interact. energy: -0.176
local terms energy: -77.693960
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -245.997921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.997921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.997921 (E_RNA)
where:
Base-Base interactions energy: -173.482
where: short stacking energy: -67.712
Base-Backbone interact. energy: -0.107
local terms energy: -72.409170
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -17.502
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: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -237.423911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.423911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.423911 (E_RNA)
where:
Base-Base interactions energy: -162.823
where: short stacking energy: -71.568
Base-Backbone interact. energy: -1.250
local terms energy: -73.350513
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -204.042645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.042645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.042645 (E_RNA)
where:
Base-Base interactions energy: -141.649
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.098
local terms energy: -62.295735
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -206.666821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.666821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.666821 (E_RNA)
where:
Base-Base interactions energy: -146.304
where: short stacking energy: -64.282
Base-Backbone interact. energy: -0.000
local terms energy: -60.362686
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -16.863
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: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -192.100809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.100809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.100809 (E_RNA)
where:
Base-Base interactions energy: -125.340
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.082
local terms energy: -66.678025
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -14.900
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: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -193.986283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.986283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.986283 (E_RNA)
where:
Base-Base interactions energy: -125.325
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.084
local terms energy: -68.578015
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -76.550985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.550985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.550985 (E_RNA)
where:
Base-Base interactions energy: -33.422
where: short stacking energy: -23.810
Base-Backbone interact. energy: 1.766
local terms energy: -44.894380
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -0.033
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: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -78.792601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.792601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.792601 (E_RNA)
where:
Base-Base interactions energy: -25.941
where: short stacking energy: -25.941
Base-Backbone interact. energy: -0.281
local terms energy: -52.570273
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -243.085029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.085029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.085029 (E_RNA)
where:
Base-Base interactions energy: -164.736
where: short stacking energy: -72.879
Base-Backbone interact. energy: -0.391
local terms energy: -77.958589
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -245.270330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.270330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.270330 (E_RNA)
where:
Base-Base interactions energy: -170.713
where: short stacking energy: -79.387
Base-Backbone interact. energy: -0.026
local terms energy: -74.530711
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -231.948805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.948805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.948805 (E_RNA)
where:
Base-Base interactions energy: -160.207
where: short stacking energy: -70.776
Base-Backbone interact. energy: -0.359
local terms energy: -71.382535
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -236.342017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.342017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.342017 (E_RNA)
where:
Base-Base interactions energy: -159.803
where: short stacking energy: -70.612
Base-Backbone interact. energy: -0.005
local terms energy: -76.534272
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -218.154475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.154475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.154475 (E_RNA)
where:
Base-Base interactions energy: -149.404
where: short stacking energy: -58.704
Base-Backbone interact. energy: -0.500
local terms energy: -68.250936
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -213.642554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.642554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.642554 (E_RNA)
where:
Base-Base interactions energy: -146.234
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.117
local terms energy: -67.292059
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -18.660
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: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -172.273885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.273885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.273885 (E_RNA)
where:
Base-Base interactions energy: -111.350
where: short stacking energy: -44.544
Base-Backbone interact. energy: -0.378
local terms energy: -60.546577
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -9.826
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: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -168.015945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.015945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.015945 (E_RNA)
where:
Base-Base interactions energy: -121.077
where: short stacking energy: -57.925
Base-Backbone interact. energy: -0.227
local terms energy: -46.712204
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -8.061
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: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -75.293355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.293355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.293355 (E_RNA)
where:
Base-Base interactions energy: -27.679
where: short stacking energy: -27.393
Base-Backbone interact. energy: 0.285
local terms energy: -47.899770
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -89.150986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.150986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.150986 (E_RNA)
where:
Base-Base interactions energy: -34.136
where: short stacking energy: -34.136
Base-Backbone interact. energy: -0.030
local terms energy: -54.985090
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -246.214192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.214192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.214192 (E_RNA)
where:
Base-Base interactions energy: -175.379
where: short stacking energy: -78.110
Base-Backbone interact. energy: -0.730
local terms energy: -70.105632
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -242.727688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.727688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.727688 (E_RNA)
where:
Base-Base interactions energy: -177.067
where: short stacking energy: -75.134
Base-Backbone interact. energy: -0.046
local terms energy: -65.614098
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -241.380295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.380295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.380295 (E_RNA)
where:
Base-Base interactions energy: -165.997
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.001
local terms energy: -75.381550
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -10.620
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: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -230.678091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.678091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.678091 (E_RNA)
where:
Base-Base interactions energy: -160.234
where: short stacking energy: -73.069
Base-Backbone interact. energy: -0.012
local terms energy: -70.431802
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -8.840
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: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -209.844904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.844904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.844904 (E_RNA)
where:
Base-Base interactions energy: -150.643
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.004
local terms energy: -59.198264
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -13.900
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: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -212.520289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.520289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.520289 (E_RNA)
where:
Base-Base interactions energy: -147.196
where: short stacking energy: -67.390
Base-Backbone interact. energy: -0.238
local terms energy: -65.086069
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -197.591387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.591387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.591387 (E_RNA)
where:
Base-Base interactions energy: -134.985
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.110
local terms energy: -62.496045
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -142.089365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.089365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.089365 (E_RNA)
where:
Base-Base interactions energy: -89.544
where: short stacking energy: -40.560
Base-Backbone interact. energy: -0.094
local terms energy: -52.450972
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -5.578
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -74.626292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.626292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.626292 (E_RNA)
where:
Base-Base interactions energy: -24.236
where: short stacking energy: -21.311
Base-Backbone interact. energy: -0.454
local terms energy: -49.936391
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -6.241
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -81.073455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.073455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.073455 (E_RNA)
where:
Base-Base interactions energy: -31.092
where: short stacking energy: -25.345
Base-Backbone interact. energy: -0.154
local terms energy: -49.827592
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -2.905
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -245.335665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.335665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.335665 (E_RNA)
where:
Base-Base interactions energy: -170.520
where: short stacking energy: -71.179
Base-Backbone interact. energy: -0.033
local terms energy: -74.782976
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -247.136241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.136241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.136241 (E_RNA)
where:
Base-Base interactions energy: -171.437
where: short stacking energy: -80.512
Base-Backbone interact. energy: -0.298
local terms energy: -75.400538
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -235.194661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.194661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.194661 (E_RNA)
where:
Base-Base interactions energy: -167.905
where: short stacking energy: -71.600
Base-Backbone interact. energy: -0.440
local terms energy: -66.849627
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -19.123
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: 33
Temperature: 1.050000
Total energy: -216.133429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.133429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.133429 (E_RNA)
where:
Base-Base interactions energy: -144.868
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.438
local terms energy: -70.826875
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -235.347774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.347774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.347774 (E_RNA)
where:
Base-Base interactions energy: -163.977
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.000
local terms energy: -71.370272
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -205.336264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.336264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.336264 (E_RNA)
where:
Base-Base interactions energy: -142.266
where: short stacking energy: -64.384
Base-Backbone interact. energy: -0.046
local terms energy: -63.024358
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -194.508088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.508088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.508088 (E_RNA)
where:
Base-Base interactions energy: -127.926
where: short stacking energy: -63.148
Base-Backbone interact. energy: -0.001
local terms energy: -66.581264
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -122.831626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.831626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.831626 (E_RNA)
where:
Base-Base interactions energy: -68.650
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.330
local terms energy: -53.851613
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -80.767808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.767808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.767808 (E_RNA)
where:
Base-Base interactions energy: -35.910
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.325
local terms energy: -44.533134
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -6.170
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -95.732126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.732126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.732126 (E_RNA)
where:
Base-Base interactions energy: -46.143
where: short stacking energy: -33.235
Base-Backbone interact. energy: -1.073
local terms energy: -48.516213
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -245.653832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.653832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.653832 (E_RNA)
where:
Base-Base interactions energy: -164.317
where: short stacking energy: -75.670
Base-Backbone interact. energy: -0.548
local terms energy: -80.789649
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -21.116
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: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -234.361808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.361808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.361808 (E_RNA)
where:
Base-Base interactions energy: -161.761
where: short stacking energy: -79.231
Base-Backbone interact. energy: -0.658
local terms energy: -71.942606
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -21.149
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: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -236.951967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.951967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.951967 (E_RNA)
where:
Base-Base interactions energy: -160.884
where: short stacking energy: -71.128
Base-Backbone interact. energy: -0.285
local terms energy: -75.783226
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -20.125
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: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -223.829533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.829533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.829533 (E_RNA)
where:
Base-Base interactions energy: -157.737
where: short stacking energy: -66.359
Base-Backbone interact. energy: -0.026
local terms energy: -66.067167
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -13.865
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: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -214.582955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.582955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.582955 (E_RNA)
where:
Base-Base interactions energy: -147.806
where: short stacking energy: -64.140
Base-Backbone interact. energy: -0.058
local terms energy: -66.718812
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -227.389865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.389865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.389865 (E_RNA)
where:
Base-Base interactions energy: -160.540
where: short stacking energy: -71.493
Base-Backbone interact. energy: -0.001
local terms energy: -66.849190
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -186.214346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.214346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.214346 (E_RNA)
where:
Base-Base interactions energy: -122.419
where: short stacking energy: -50.841
Base-Backbone interact. energy: -0.076
local terms energy: -63.719589
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -11.810
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -144.462672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.462672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.462672 (E_RNA)
where:
Base-Base interactions energy: -89.199
where: short stacking energy: -46.634
Base-Backbone interact. energy: -0.289
local terms energy: -54.974276
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -82.034439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.034439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.034439 (E_RNA)
where:
Base-Base interactions energy: -31.036
where: short stacking energy: -31.036
Base-Backbone interact. energy: -0.810
local terms energy: -50.189023
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -75.579593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.579593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.579593 (E_RNA)
where:
Base-Base interactions energy: -33.826
where: short stacking energy: -33.826
Base-Backbone interact. energy: -0.016
local terms energy: -41.738207
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -8.939
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -244.045526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.045526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.045526 (E_RNA)
where:
Base-Base interactions energy: -170.907
where: short stacking energy: -74.068
Base-Backbone interact. energy: -0.156
local terms energy: -72.982367
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -235.907228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.907228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.907228 (E_RNA)
where:
Base-Base interactions energy: -170.117
where: short stacking energy: -72.893
Base-Backbone interact. energy: -0.480
local terms energy: -65.310242
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -236.901388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.901388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.901388 (E_RNA)
where:
Base-Base interactions energy: -160.927
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.338
local terms energy: -75.636728
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -205.984823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.984823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.984823 (E_RNA)
where:
Base-Base interactions energy: -133.803
where: short stacking energy: -57.643
Base-Backbone interact. energy: -1.521
local terms energy: -70.660559
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -16.556
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: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -202.905476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.905476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.905476 (E_RNA)
where:
Base-Base interactions energy: -135.791
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.299
local terms energy: -66.815109
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.700
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: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -207.182339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.182339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.182339 (E_RNA)
where:
Base-Base interactions energy: -135.921
where: short stacking energy: -63.508
Base-Backbone interact. energy: -0.032
local terms energy: -71.229530
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -224.659646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.659646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.659646 (E_RNA)
where:
Base-Base interactions energy: -155.458
where: short stacking energy: -65.368
Base-Backbone interact. energy: -0.094
local terms energy: -69.107563
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -18.360
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: 35
Temperature: 1.250000
Total energy: -90.447091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.447091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.447091 (E_RNA)
where:
Base-Base interactions energy: -42.472
where: short stacking energy: -26.774
Base-Backbone interact. energy: -0.274
local terms energy: -47.701709
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.151
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: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -85.277810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.277810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.277810 (E_RNA)
where:
Base-Base interactions energy: -38.025
where: short stacking energy: -38.025
Base-Backbone interact. energy: -0.001
local terms energy: -47.252503
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -68.013254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.013254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.013254 (E_RNA)
where:
Base-Base interactions energy: -21.364
where: short stacking energy: -21.364
Base-Backbone interact. energy: -0.001
local terms energy: -46.648989
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -248.202199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.202199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.202199 (E_RNA)
where:
Base-Base interactions energy: -170.764
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.059
local terms energy: -77.379019
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -234.344654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.344654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.344654 (E_RNA)
where:
Base-Base interactions energy: -168.783
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.110
local terms energy: -65.451800
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -9.847
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: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -238.723431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.723431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.723431 (E_RNA)
where:
Base-Base interactions energy: -167.173
where: short stacking energy: -74.136
Base-Backbone interact. energy: -0.000
local terms energy: -71.550101
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -212.965555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.965555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.965555 (E_RNA)
where:
Base-Base interactions energy: -143.299
where: short stacking energy: -65.328
Base-Backbone interact. energy: -0.017
local terms energy: -69.648615
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -18.683
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: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -209.232421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.232421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.232421 (E_RNA)
where:
Base-Base interactions energy: -146.034
where: short stacking energy: -61.357
Base-Backbone interact. energy: -0.021
local terms energy: -63.178063
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -193.919263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.919263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.919263 (E_RNA)
where:
Base-Base interactions energy: -130.524
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.001
local terms energy: -63.394448
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -17.325
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: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -219.564292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.564292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.564292 (E_RNA)
where:
Base-Base interactions energy: -152.982
where: short stacking energy: -61.977
Base-Backbone interact. energy: -0.605
local terms energy: -65.977118
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.579
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: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -126.169580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.169580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.169580 (E_RNA)
where:
Base-Base interactions energy: -72.108
where: short stacking energy: -42.405
Base-Backbone interact. energy: -0.170
local terms energy: -53.890673
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -98.911040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.911040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.911040 (E_RNA)
where:
Base-Base interactions energy: -42.697
where: short stacking energy: -42.697
Base-Backbone interact. energy: -0.022
local terms energy: -56.191852
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -10.731
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: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -76.141726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.141726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.141726 (E_RNA)
where:
Base-Base interactions energy: -28.322
where: short stacking energy: -27.388
Base-Backbone interact. energy: -0.057
local terms energy: -47.762244
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -243.716736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.716736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.716736 (E_RNA)
where:
Base-Base interactions energy: -172.529
where: short stacking energy: -72.607
Base-Backbone interact. energy: -0.717
local terms energy: -70.470630
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -239.988640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.988640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.988640 (E_RNA)
where:
Base-Base interactions energy: -163.805
where: short stacking energy: -72.040
Base-Backbone interact. energy: 1.253
local terms energy: -77.437007
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -238.019121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.019121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.019121 (E_RNA)
where:
Base-Base interactions energy: -170.854
where: short stacking energy: -70.463
Base-Backbone interact. energy: 0.979
local terms energy: -68.144728
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -221.757227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.757227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.757227 (E_RNA)
where:
Base-Base interactions energy: -155.397
where: short stacking energy: -64.745
Base-Backbone interact. energy: -0.044
local terms energy: -66.316671
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -191.378991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.378991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.378991 (E_RNA)
where:
Base-Base interactions energy: -125.681
where: short stacking energy: -60.166
Base-Backbone interact. energy: -0.147
local terms energy: -65.551710
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -7.557
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: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -224.393716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.393716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.393716 (E_RNA)
where:
Base-Base interactions energy: -157.889
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.149
local terms energy: -66.355547
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -18.077
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: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -178.189517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.189517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.189517 (E_RNA)
where:
Base-Base interactions energy: -121.568
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.214
local terms energy: -56.407573
where:
bonds (distance) C4'-P energy: -8.639
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -121.910468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.910468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.910468 (E_RNA)
where:
Base-Base interactions energy: -71.589
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.527
local terms energy: -49.794785
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -79.792733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.792733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.792733 (E_RNA)
where:
Base-Base interactions energy: -29.625
where: short stacking energy: -29.625
Base-Backbone interact. energy: -0.227
local terms energy: -49.940505
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -9.207
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: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -73.876591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.876591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.876591 (E_RNA)
where:
Base-Base interactions energy: -23.366
where: short stacking energy: -20.091
Base-Backbone interact. energy: -0.202
local terms energy: -50.307922
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -8.870
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -250.265813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.265813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.265813 (E_RNA)
where:
Base-Base interactions energy: -171.870
where: short stacking energy: -76.019
Base-Backbone interact. energy: -0.030
local terms energy: -78.365413
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -19.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -246.265694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.265694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.265694 (E_RNA)
where:
Base-Base interactions energy: -172.175
where: short stacking energy: -72.427
Base-Backbone interact. energy: -0.091
local terms energy: -73.999472
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -230.977882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.977882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.977882 (E_RNA)
where:
Base-Base interactions energy: -165.804
where: short stacking energy: -70.108
Base-Backbone interact. energy: -0.096
local terms energy: -65.077813
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -7.819
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: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -208.207845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.207845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.207845 (E_RNA)
where:
Base-Base interactions energy: -141.465
where: short stacking energy: -59.681
Base-Backbone interact. energy: -2.528
local terms energy: -64.215273
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -217.176811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.176811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.176811 (E_RNA)
where:
Base-Base interactions energy: -152.058
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.032
local terms energy: -65.086386
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -195.220209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.220209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.220209 (E_RNA)
where:
Base-Base interactions energy: -126.860
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.010
local terms energy: -68.349710
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -173.771737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.771737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.771737 (E_RNA)
where:
Base-Base interactions energy: -124.444
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.201
local terms energy: -49.126308
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -126.839202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.839202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.839202 (E_RNA)
where:
Base-Base interactions energy: -72.894
where: short stacking energy: -32.709
Base-Backbone interact. energy: 1.520
local terms energy: -55.465551
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -87.592529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.592529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.592529 (E_RNA)
where:
Base-Base interactions energy: -35.056
where: short stacking energy: -34.810
Base-Backbone interact. energy: 0.074
local terms energy: -52.610123
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -5.093
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: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -74.654770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.654770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.654770 (E_RNA)
where:
Base-Base interactions energy: -34.323
where: short stacking energy: -32.482
Base-Backbone interact. energy: 0.757
local terms energy: -41.088471
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -0.670
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: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -244.297484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.297484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.297484 (E_RNA)
where:
Base-Base interactions energy: -167.407
where: short stacking energy: -73.626
Base-Backbone interact. energy: -0.575
local terms energy: -76.314878
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -21.758
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: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -241.515288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.515288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.515288 (E_RNA)
where:
Base-Base interactions energy: -169.320
where: short stacking energy: -71.430
Base-Backbone interact. energy: -0.612
local terms energy: -71.582997
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -238.550925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.550925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.550925 (E_RNA)
where:
Base-Base interactions energy: -164.323
where: short stacking energy: -68.942
Base-Backbone interact. energy: -0.215
local terms energy: -74.012780
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -239.627880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.627880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.627880 (E_RNA)
where:
Base-Base interactions energy: -164.257
where: short stacking energy: -76.741
Base-Backbone interact. energy: -0.221
local terms energy: -75.150244
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -207.721074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.721074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.721074 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -61.711
Base-Backbone interact. energy: -0.493
local terms energy: -69.180633
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -20.485
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: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -200.723800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.723800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.723800 (E_RNA)
where:
Base-Base interactions energy: -139.393
where: short stacking energy: -61.729
Base-Backbone interact. energy: -0.017
local terms energy: -61.312951
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -9.819
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: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -192.252863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.252863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.252863 (E_RNA)
where:
Base-Base interactions energy: -129.603
where: short stacking energy: -60.090
Base-Backbone interact. energy: -0.278
local terms energy: -62.372421
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -107.058649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.058649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.058649 (E_RNA)
where:
Base-Base interactions energy: -61.617
where: short stacking energy: -31.623
Base-Backbone interact. energy: -0.253
local terms energy: -45.188619
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: 1.220
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: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -79.591185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.591185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.591185 (E_RNA)
where:
Base-Base interactions energy: -28.066
where: short stacking energy: -28.066
Base-Backbone interact. energy: -0.001
local terms energy: -51.523414
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -8.698
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: 39
Temperature: 1.350000
Total energy: -81.627617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.627617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.627617 (E_RNA)
where:
Base-Base interactions energy: -37.114
where: short stacking energy: -32.893
Base-Backbone interact. energy: -0.379
local terms energy: -44.134806
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -245.835573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.835573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.835573 (E_RNA)
where:
Base-Base interactions energy: -174.088
where: short stacking energy: -69.827
Base-Backbone interact. energy: -0.167
local terms energy: -71.580995
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -17.857
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: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -249.577833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.577833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.577833 (E_RNA)
where:
Base-Base interactions energy: -171.658
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.129
local terms energy: -77.790535
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -235.181736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.181736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.181736 (E_RNA)
where:
Base-Base interactions energy: -165.533
where: short stacking energy: -72.746
Base-Backbone interact. energy: -0.109
local terms energy: -69.539941
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -237.185336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.185336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.185336 (E_RNA)
where:
Base-Base interactions energy: -168.239
where: short stacking energy: -71.499
Base-Backbone interact. energy: -0.578
local terms energy: -68.368645
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -12.469
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: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -204.545058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.545058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.545058 (E_RNA)
where:
Base-Base interactions energy: -143.669
where: short stacking energy: -59.820
Base-Backbone interact. energy: 0.741
local terms energy: -61.617514
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -5.368
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: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -200.055845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.055845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.055845 (E_RNA)
where:
Base-Base interactions energy: -131.170
where: short stacking energy: -54.218
Base-Backbone interact. energy: -0.005
local terms energy: -68.880384
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -17.010
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: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -194.338311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.338311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.338311 (E_RNA)
where:
Base-Base interactions energy: -128.479
where: short stacking energy: -62.208
Base-Backbone interact. energy: 0.030
local terms energy: -65.889761
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -17.003
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: 40
Temperature: 1.250000
Total energy: -119.985353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.985353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.985353 (E_RNA)
where:
Base-Base interactions energy: -66.510
where: short stacking energy: -31.532
Base-Backbone interact. energy: -0.383
local terms energy: -53.091645
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -89.490859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.490859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.490859 (E_RNA)
where:
Base-Base interactions energy: -32.409
where: short stacking energy: -32.409
Base-Backbone interact. energy: 0.732
local terms energy: -57.813782
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -7.035
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: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -78.650319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.650319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.650319 (E_RNA)
where:
Base-Base interactions energy: -29.993
where: short stacking energy: -23.872
Base-Backbone interact. energy: -0.423
local terms energy: -48.233994
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -240.302094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.302094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.302094 (E_RNA)
where:
Base-Base interactions energy: -158.305
where: short stacking energy: -72.766
Base-Backbone interact. energy: -0.957
local terms energy: -81.040867
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -252.756185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.756185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.756185 (E_RNA)
where:
Base-Base interactions energy: -173.583
where: short stacking energy: -76.745
Base-Backbone interact. energy: -1.955
local terms energy: -77.218202
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -239.070428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.070428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.070428 (E_RNA)
where:
Base-Base interactions energy: -168.260
where: short stacking energy: -77.730
Base-Backbone interact. energy: -0.001
local terms energy: -70.809624
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -209.487580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.487580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.487580 (E_RNA)
where:
Base-Base interactions energy: -144.110
where: short stacking energy: -59.974
Base-Backbone interact. energy: -0.703
local terms energy: -64.673652
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -15.134
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: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -232.759933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.759933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.759933 (E_RNA)
where:
Base-Base interactions energy: -167.887
where: short stacking energy: -71.174
Base-Backbone interact. energy: -0.018
local terms energy: -64.854701
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -18.783
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: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -201.083943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.083943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.083943 (E_RNA)
where:
Base-Base interactions energy: -140.998
where: short stacking energy: -72.216
Base-Backbone interact. energy: -0.135
local terms energy: -59.950678
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -17.903
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: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -180.951836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.951836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.951836 (E_RNA)
where:
Base-Base interactions energy: -120.255
where: short stacking energy: -50.203
Base-Backbone interact. energy: -0.180
local terms energy: -60.516521
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -85.146460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.146460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.146460 (E_RNA)
where:
Base-Base interactions energy: -26.307
where: short stacking energy: -26.307
Base-Backbone interact. energy: -0.017
local terms energy: -58.823133
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -12.233
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: 41
Temperature: 1.300000
Total energy: -132.236398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.236398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.236398 (E_RNA)
where:
Base-Base interactions energy: -81.429
where: short stacking energy: -35.309
Base-Backbone interact. energy: -0.123
local terms energy: -50.684753
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -77.517332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.517332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.517332 (E_RNA)
where:
Base-Base interactions energy: -32.802
where: short stacking energy: -32.802
Base-Backbone interact. energy: -0.032
local terms energy: -44.683318
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -2.233
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -6.225
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: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -246.226599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.226599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.226599 (E_RNA)
where:
Base-Base interactions energy: -169.712
where: short stacking energy: -78.413
Base-Backbone interact. energy: -0.001
local terms energy: -76.513712
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -19.418
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: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -249.070948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.070948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.070948 (E_RNA)
where:
Base-Base interactions energy: -174.106
where: short stacking energy: -80.893
Base-Backbone interact. energy: -0.269
local terms energy: -74.695856
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -242.317112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.317112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.317112 (E_RNA)
where:
Base-Base interactions energy: -162.848
where: short stacking energy: -78.588
Base-Backbone interact. energy: -0.303
local terms energy: -79.166057
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -210.492925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.492925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.492925 (E_RNA)
where:
Base-Base interactions energy: -149.132
where: short stacking energy: -59.719
Base-Backbone interact. energy: -0.645
local terms energy: -60.715871
where:
bonds (distance) C4'-P energy: -8.528
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -215.388281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.388281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.388281 (E_RNA)
where:
Base-Base interactions energy: -143.180
where: short stacking energy: -75.429
Base-Backbone interact. energy: -0.052
local terms energy: -72.157209
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -234.213459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.213459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.213459 (E_RNA)
where:
Base-Base interactions energy: -157.292
where: short stacking energy: -71.760
Base-Backbone interact. energy: -1.235
local terms energy: -75.685696
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -196.054069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.054069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.054069 (E_RNA)
where:
Base-Base interactions energy: -122.678
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.794
local terms energy: -72.581913
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -76.092220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.092220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.092220 (E_RNA)
where:
Base-Base interactions energy: -33.549
where: short stacking energy: -27.105
Base-Backbone interact. energy: -0.172
local terms energy: -42.371483
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -75.637868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.637868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.637868 (E_RNA)
where:
Base-Base interactions energy: -34.668
where: short stacking energy: -21.375
Base-Backbone interact. energy: -0.129
local terms energy: -40.840071
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -7.666
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: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -118.703081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.703081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.703081 (E_RNA)
where:
Base-Base interactions energy: -75.555
where: short stacking energy: -30.558
Base-Backbone interact. energy: -0.064
local terms energy: -43.083484
where:
bonds (distance) C4'-P energy: -7.902
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -246.747034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.747034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.747034 (E_RNA)
where:
Base-Base interactions energy: -167.635
where: short stacking energy: -76.231
Base-Backbone interact. energy: 0.387
local terms energy: -79.498440
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -244.944439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.944439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.944439 (E_RNA)
where:
Base-Base interactions energy: -166.764
where: short stacking energy: -81.279
Base-Backbone interact. energy: -0.151
local terms energy: -78.028740
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -233.994330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.994330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.994330 (E_RNA)
where:
Base-Base interactions energy: -166.683
where: short stacking energy: -71.514
Base-Backbone interact. energy: -0.006
local terms energy: -67.305559
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.066
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: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -220.458446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.458446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.458446 (E_RNA)
where:
Base-Base interactions energy: -142.754
where: short stacking energy: -64.961
Base-Backbone interact. energy: -0.198
local terms energy: -77.505887
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -12.988
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: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -217.185823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.185823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.185823 (E_RNA)
where:
Base-Base interactions energy: -150.127
where: short stacking energy: -69.608
Base-Backbone interact. energy: -0.101
local terms energy: -66.957836
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -191.585789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.585789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.585789 (E_RNA)
where:
Base-Base interactions energy: -131.487
where: short stacking energy: -63.618
Base-Backbone interact. energy: 0.566
local terms energy: -60.664606
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -6.191
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: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -206.056946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.056946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.056946 (E_RNA)
where:
Base-Base interactions energy: -139.553
where: short stacking energy: -60.262
Base-Backbone interact. energy: -0.187
local terms energy: -66.316887
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -10.862
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: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -95.511775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.511775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.511775 (E_RNA)
where:
Base-Base interactions energy: -33.852
where: short stacking energy: -29.016
Base-Backbone interact. energy: -0.042
local terms energy: -61.617708
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -10.150
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: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -84.687241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687241 (E_RNA)
where:
Base-Base interactions energy: -36.245
where: short stacking energy: -36.245
Base-Backbone interact. energy: -0.523
local terms energy: -47.919211
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -83.895297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.895297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.895297 (E_RNA)
where:
Base-Base interactions energy: -38.991
where: short stacking energy: -24.953
Base-Backbone interact. energy: -0.013
local terms energy: -44.890684
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -245.123955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.123955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.123955 (E_RNA)
where:
Base-Base interactions energy: -168.437
where: short stacking energy: -82.245
Base-Backbone interact. energy: -0.047
local terms energy: -76.640776
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -242.572077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.572077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.572077 (E_RNA)
where:
Base-Base interactions energy: -168.477
where: short stacking energy: -79.234
Base-Backbone interact. energy: -1.863
local terms energy: -72.232564
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -235.658642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.658642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.658642 (E_RNA)
where:
Base-Base interactions energy: -166.683
where: short stacking energy: -68.985
Base-Backbone interact. energy: -0.007
local terms energy: -68.968677
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -9.798
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: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -218.675184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.675184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.675184 (E_RNA)
where:
Base-Base interactions energy: -143.620
where: short stacking energy: -67.239
Base-Backbone interact. energy: -0.050
local terms energy: -75.005320
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -199.220903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.220903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.220903 (E_RNA)
where:
Base-Base interactions energy: -132.670
where: short stacking energy: -63.595
Base-Backbone interact. energy: -0.326
local terms energy: -66.224806
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -206.389237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.389237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.389237 (E_RNA)
where:
Base-Base interactions energy: -137.172
where: short stacking energy: -59.882
Base-Backbone interact. energy: -0.052
local terms energy: -69.165879
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -216.598231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.598231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.598231 (E_RNA)
where:
Base-Base interactions energy: -153.718
where: short stacking energy: -63.871
Base-Backbone interact. energy: -0.042
local terms energy: -62.838333
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -89.880056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.880056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.880056 (E_RNA)
where:
Base-Base interactions energy: -35.907
where: short stacking energy: -35.907
Base-Backbone interact. energy: -0.153
local terms energy: -53.819816
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -8.808
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: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -150.746087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.746087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.746087 (E_RNA)
where:
Base-Base interactions energy: -92.269
where: short stacking energy: -48.173
Base-Backbone interact. energy: -0.002
local terms energy: -58.475828
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -83.276536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.276536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.276536 (E_RNA)
where:
Base-Base interactions energy: -30.800
where: short stacking energy: -30.800
Base-Backbone interact. energy: -0.114
local terms energy: -52.362313
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -248.529417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.529417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.529417 (E_RNA)
where:
Base-Base interactions energy: -170.784
where: short stacking energy: -77.314
Base-Backbone interact. energy: -0.575
local terms energy: -77.170467
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -241.063536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.063536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.063536 (E_RNA)
where:
Base-Base interactions energy: -166.116
where: short stacking energy: -69.426
Base-Backbone interact. energy: -0.076
local terms energy: -74.871815
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -16.831
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: 45
Temperature: 1.000000
Total energy: -235.364979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.364979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.364979 (E_RNA)
where:
Base-Base interactions energy: -165.342
where: short stacking energy: -78.109
Base-Backbone interact. energy: -0.674
local terms energy: -69.349019
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -213.267281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.267281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.267281 (E_RNA)
where:
Base-Base interactions energy: -144.056
where: short stacking energy: -73.331
Base-Backbone interact. energy: -0.454
local terms energy: -68.758103
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.906
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: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -194.504059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.504059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.504059 (E_RNA)
where:
Base-Base interactions energy: -132.302
where: short stacking energy: -65.878
Base-Backbone interact. energy: -0.120
local terms energy: -62.081431
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -225.266088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.266088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.266088 (E_RNA)
where:
Base-Base interactions energy: -156.064
where: short stacking energy: -70.146
Base-Backbone interact. energy: -0.567
local terms energy: -68.635001
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -19.755
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: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -199.457630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.457630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.457630 (E_RNA)
where:
Base-Base interactions energy: -136.585
where: short stacking energy: -60.188
Base-Backbone interact. energy: 0.178
local terms energy: -63.050952
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -8.263
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -182.734308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.734308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.734308 (E_RNA)
where:
Base-Base interactions energy: -119.351
where: short stacking energy: -58.724
Base-Backbone interact. energy: -1.187
local terms energy: -62.196053
where:
bonds (distance) C4'-P energy: -6.869
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -85.619922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.619922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.619922 (E_RNA)
where:
Base-Base interactions energy: -38.800
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.406
local terms energy: -46.413640
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -6.509
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -82.275759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.275759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.275759 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.102
local terms energy: -42.622055
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -250.807910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.807910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.807910 (E_RNA)
where:
Base-Base interactions energy: -170.563
where: short stacking energy: -79.876
Base-Backbone interact. energy: -1.874
local terms energy: -78.371112
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -245.555431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.555431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.555431 (E_RNA)
where:
Base-Base interactions energy: -166.023
where: short stacking energy: -70.143
Base-Backbone interact. energy: -0.097
local terms energy: -79.435424
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -222.526822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.526822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.526822 (E_RNA)
where:
Base-Base interactions energy: -148.752
where: short stacking energy: -75.720
Base-Backbone interact. energy: -0.615
local terms energy: -73.159363
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -19.181
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: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -245.646964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.646964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.646964 (E_RNA)
where:
Base-Base interactions energy: -170.345
where: short stacking energy: -82.182
Base-Backbone interact. energy: -0.295
local terms energy: -75.007440
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -235.442664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.442664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.442664 (E_RNA)
where:
Base-Base interactions energy: -167.657
where: short stacking energy: -67.688
Base-Backbone interact. energy: -0.111
local terms energy: -67.674592
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.932
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: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -199.622253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.622253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.622253 (E_RNA)
where:
Base-Base interactions energy: -132.698
where: short stacking energy: -55.318
Base-Backbone interact. energy: -0.265
local terms energy: -66.658970
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -18.230
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: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -193.507441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.507441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.507441 (E_RNA)
where:
Base-Base interactions energy: -135.425
where: short stacking energy: -57.412
Base-Backbone interact. energy: -1.227
local terms energy: -56.856060
where:
bonds (distance) C4'-P energy: -6.345
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -12.023
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: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -155.800591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.800591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.800591 (E_RNA)
where:
Base-Base interactions energy: -104.823
where: short stacking energy: -48.713
Base-Backbone interact. energy: -0.353
local terms energy: -50.623977
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -2.543
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -93.932295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.932295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.932295 (E_RNA)
where:
Base-Base interactions energy: -44.350
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.106
local terms energy: -49.475946
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -0.107
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: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -131.285634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.285634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.285634 (E_RNA)
where:
Base-Base interactions energy: -88.618
where: short stacking energy: -41.564
Base-Backbone interact. energy: 2.043
local terms energy: -44.710610
where:
bonds (distance) C4'-P energy: -7.620
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -6.687
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: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -244.708948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.708948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.708948 (E_RNA)
where:
Base-Base interactions energy: -168.692
where: short stacking energy: -77.245
Base-Backbone interact. energy: -0.160
local terms energy: -75.856706
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -247.869469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.869469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.869469 (E_RNA)
where:
Base-Base interactions energy: -175.349
where: short stacking energy: -66.804
Base-Backbone interact. energy: -0.182
local terms energy: -72.337843
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -9.841
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: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -210.978334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.978334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.978334 (E_RNA)
where:
Base-Base interactions energy: -137.081
where: short stacking energy: -65.868
Base-Backbone interact. energy: -0.292
local terms energy: -73.604934
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -14.874
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: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -226.636352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.636352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.636352 (E_RNA)
where:
Base-Base interactions energy: -155.689
where: short stacking energy: -68.118
Base-Backbone interact. energy: -0.088
local terms energy: -70.860105
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -229.539899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.539899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.539899 (E_RNA)
where:
Base-Base interactions energy: -157.416
where: short stacking energy: -76.957
Base-Backbone interact. energy: -0.542
local terms energy: -71.581921
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -182.775843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.775843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.775843 (E_RNA)
where:
Base-Base interactions energy: -117.841
where: short stacking energy: -53.026
Base-Backbone interact. energy: -0.080
local terms energy: -64.855378
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -8.414
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: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -187.995624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.995624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.995624 (E_RNA)
where:
Base-Base interactions energy: -124.528
where: short stacking energy: -61.192
Base-Backbone interact. energy: -0.575
local terms energy: -62.892412
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -186.896128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.896128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.896128 (E_RNA)
where:
Base-Base interactions energy: -127.422
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.138
local terms energy: -59.336585
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -16.015
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: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -86.123649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.123649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.123649 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.445
local terms energy: -50.085606
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -136.360869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.360869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.360869 (E_RNA)
where:
Base-Base interactions energy: -86.124
where: short stacking energy: -44.991
Base-Backbone interact. energy: 0.128
local terms energy: -50.365734
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -6.993
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: 48
Temperature: 0.900000
Total energy: -243.801844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.801844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.801844 (E_RNA)
where:
Base-Base interactions energy: -170.559
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.011
local terms energy: -73.232179
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -240.907070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.907070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.907070 (E_RNA)
where:
Base-Base interactions energy: -170.919
where: short stacking energy: -72.089
Base-Backbone interact. energy: -0.144
local terms energy: -69.843828
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -234.532649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.532649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.532649 (E_RNA)
where:
Base-Base interactions energy: -159.187
where: short stacking energy: -68.091
Base-Backbone interact. energy: -0.001
local terms energy: -75.344778
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -214.556354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.556354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.556354 (E_RNA)
where:
Base-Base interactions energy: -140.101
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.192
local terms energy: -74.263532
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -211.842828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.842828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.842828 (E_RNA)
where:
Base-Base interactions energy: -147.142
where: short stacking energy: -72.038
Base-Backbone interact. energy: -0.597
local terms energy: -64.104294
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -224.719179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.719179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.719179 (E_RNA)
where:
Base-Base interactions energy: -162.392
where: short stacking energy: -68.036
Base-Backbone interact. energy: -0.027
local terms energy: -62.300170
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -15.315
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: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -188.840416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.840416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.840416 (E_RNA)
where:
Base-Base interactions energy: -128.939
where: short stacking energy: -57.610
Base-Backbone interact. energy: -0.318
local terms energy: -59.583004
where:
bonds (distance) C4'-P energy: -7.398
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -15.995
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -138.659970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.659970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.659970 (E_RNA)
where:
Base-Base interactions energy: -82.439
where: short stacking energy: -38.351
Base-Backbone interact. energy: -0.335
local terms energy: -55.886039
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -6.631
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -146.743645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.743645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.743645 (E_RNA)
where:
Base-Base interactions energy: -89.571
where: short stacking energy: -43.113
Base-Backbone interact. energy: 0.122
local terms energy: -57.294843
where:
bonds (distance) C4'-P energy: -7.459
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -83.192507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.192507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.192507 (E_RNA)
where:
Base-Base interactions energy: -30.145
where: short stacking energy: -30.145
Base-Backbone interact. energy: 0.367
local terms energy: -53.414364
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -8.293
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: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -247.772957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.772957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.772957 (E_RNA)
where:
Base-Base interactions energy: -166.964
where: short stacking energy: -77.535
Base-Backbone interact. energy: -1.058
local terms energy: -79.750497
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -21.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -242.030909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.030909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.030909 (E_RNA)
where:
Base-Base interactions energy: -162.015
where: short stacking energy: -75.048
Base-Backbone interact. energy: -0.011
local terms energy: -80.005496
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -243.748994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.748994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.748994 (E_RNA)
where:
Base-Base interactions energy: -175.243
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.171
local terms energy: -68.335297
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -204.067691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.067691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.067691 (E_RNA)
where:
Base-Base interactions energy: -134.516
where: short stacking energy: -55.634
Base-Backbone interact. energy: -0.256
local terms energy: -69.295643
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -217.196772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.196772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.196772 (E_RNA)
where:
Base-Base interactions energy: -151.048
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.033
local terms energy: -66.116371
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -214.570242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.570242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.570242 (E_RNA)
where:
Base-Base interactions energy: -146.314
where: short stacking energy: -70.300
Base-Backbone interact. energy: -0.009
local terms energy: -68.247793
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -20.192
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: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -213.932285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.932285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.932285 (E_RNA)
where:
Base-Base interactions energy: -157.948
where: short stacking energy: -70.980
Base-Backbone interact. energy: -0.043
local terms energy: -55.940795
where:
bonds (distance) C4'-P energy: -5.528
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -171.414992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.414992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.414992 (E_RNA)
where:
Base-Base interactions energy: -116.422
where: short stacking energy: -49.971
Base-Backbone interact. energy: -0.159
local terms energy: -54.833541
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -7.934
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: 49
Temperature: 1.300000
Total energy: -127.962969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.962969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.962969 (E_RNA)
where:
Base-Base interactions energy: -75.018
where: short stacking energy: -36.528
Base-Backbone interact. energy: 0.446
local terms energy: -53.390668
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -7.997
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: 49
Temperature: 1.350000
Total energy: -69.806601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.806601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.806601 (E_RNA)
where:
Base-Base interactions energy: -26.505
where: short stacking energy: -24.377
Base-Backbone interact. energy: -0.375
local terms energy: -42.925734
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -8.206
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: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -245.791284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.791284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.791284 (E_RNA)
where:
Base-Base interactions energy: -169.051
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.004
local terms energy: -76.736558
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -22.922
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: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -240.713954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.713954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.713954 (E_RNA)
where:
Base-Base interactions energy: -164.346
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.013
local terms energy: -76.354090
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -239.410669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.410669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.410669 (E_RNA)
where:
Base-Base interactions energy: -161.628
where: short stacking energy: -70.394
Base-Backbone interact. energy: -0.239
local terms energy: -77.543460
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -21.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -209.089091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.089091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.089091 (E_RNA)
where:
Base-Base interactions energy: -146.365
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.063
local terms energy: -62.660310
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -15.939
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: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -204.998321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.998321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.998321 (E_RNA)
where:
Base-Base interactions energy: -137.791
where: short stacking energy: -61.895
Base-Backbone interact. energy: -0.022
local terms energy: -67.185307
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -213.605917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.605917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.605917 (E_RNA)
where:
Base-Base interactions energy: -145.555
where: short stacking energy: -62.801
Base-Backbone interact. energy: -0.711
local terms energy: -67.339248
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -6.217
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: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -212.514502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.514502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.514502 (E_RNA)
where:
Base-Base interactions energy: -150.710
where: short stacking energy: -68.304
Base-Backbone interact. energy: -0.186
local terms energy: -61.617561
where:
bonds (distance) C4'-P energy: -10.089
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -7.635
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: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -201.190478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.190478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.190478 (E_RNA)
where:
Base-Base interactions energy: -140.563
where: short stacking energy: -54.522
Base-Backbone interact. energy: -1.201
local terms energy: -59.426344
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -75.024119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.024119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.024119 (E_RNA)
where:
Base-Base interactions energy: -29.994
where: short stacking energy: -24.782
Base-Backbone interact. energy: -0.057
local terms energy: -44.972708
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -4.699
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: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -80.942820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.942820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.942820 (E_RNA)
where:
Base-Base interactions energy: -33.729
where: short stacking energy: -32.966
Base-Backbone interact. energy: 0.238
local terms energy: -47.451772
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -247.094299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.094299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.094299 (E_RNA)
where:
Base-Base interactions energy: -166.257
where: short stacking energy: -77.797
Base-Backbone interact. energy: -0.325
local terms energy: -80.512261
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -238.105632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.105632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.105632 (E_RNA)
where:
Base-Base interactions energy: -161.371
where: short stacking energy: -73.604
Base-Backbone interact. energy: -0.009
local terms energy: -76.726252
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -238.126343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.126343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.126343 (E_RNA)
where:
Base-Base interactions energy: -163.105
where: short stacking energy: -74.852
Base-Backbone interact. energy: 0.145
local terms energy: -75.165887
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -210.211020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.211020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.211020 (E_RNA)
where:
Base-Base interactions energy: -137.069
where: short stacking energy: -63.801
Base-Backbone interact. energy: -0.001
local terms energy: -73.140660
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -19.691
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: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -205.722594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.722594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.722594 (E_RNA)
where:
Base-Base interactions energy: -142.726
where: short stacking energy: -58.188
Base-Backbone interact. energy: -0.094
local terms energy: -62.902704
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -6.927
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: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -228.888976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.888976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.888976 (E_RNA)
where:
Base-Base interactions energy: -159.294
where: short stacking energy: -76.436
Base-Backbone interact. energy: -0.007
local terms energy: -69.588783
where:
bonds (distance) C4'-P energy: -7.497
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -21.730
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: 51
Temperature: 1.200000
Total energy: -191.327780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.327780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.327780 (E_RNA)
where:
Base-Base interactions energy: -139.002
where: short stacking energy: -57.649
Base-Backbone interact. energy: -0.636
local terms energy: -51.689193
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -201.923154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.923154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.923154 (E_RNA)
where:
Base-Base interactions energy: -137.866
where: short stacking energy: -59.103
Base-Backbone interact. energy: -0.301
local terms energy: -63.755283
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -109.927190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.927190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.927190 (E_RNA)
where:
Base-Base interactions energy: -63.682
where: short stacking energy: -24.271
Base-Backbone interact. energy: -0.622
local terms energy: -45.623580
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -82.738050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.738050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.738050 (E_RNA)
where:
Base-Base interactions energy: -31.771
where: short stacking energy: -31.771
Base-Backbone interact. energy: -0.106
local terms energy: -50.860635
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -244.688183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.688183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.688183 (E_RNA)
where:
Base-Base interactions energy: -170.107
where: short stacking energy: -70.536
Base-Backbone interact. energy: -0.280
local terms energy: -74.301855
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -245.044302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.044302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.044302 (E_RNA)
where:
Base-Base interactions energy: -167.937
where: short stacking energy: -76.618
Base-Backbone interact. energy: -0.000
local terms energy: -77.106915
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -20.412
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -234.445666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.445666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.445666 (E_RNA)
where:
Base-Base interactions energy: -162.650
where: short stacking energy: -71.430
Base-Backbone interact. energy: 1.587
local terms energy: -73.382069
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -205.180549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.180549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.180549 (E_RNA)
where:
Base-Base interactions energy: -140.632
where: short stacking energy: -64.815
Base-Backbone interact. energy: -0.919
local terms energy: -63.628888
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -227.383394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.383394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.383394 (E_RNA)
where:
Base-Base interactions energy: -155.597
where: short stacking energy: -64.247
Base-Backbone interact. energy: 1.127
local terms energy: -72.913701
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -203.942408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.942408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.942408 (E_RNA)
where:
Base-Base interactions energy: -141.219
where: short stacking energy: -67.324
Base-Backbone interact. energy: -0.088
local terms energy: -62.635842
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -223.484345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.484345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.484345 (E_RNA)
where:
Base-Base interactions energy: -150.580
where: short stacking energy: -70.253
Base-Backbone interact. energy: -1.615
local terms energy: -71.289475
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -174.127284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.127284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.127284 (E_RNA)
where:
Base-Base interactions energy: -116.513
where: short stacking energy: -55.462
Base-Backbone interact. energy: -0.009
local terms energy: -57.605549
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -9.753
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: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -97.879185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.879185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.879185 (E_RNA)
where:
Base-Base interactions energy: -60.833
where: short stacking energy: -35.106
Base-Backbone interact. energy: -0.265
local terms energy: -36.780747
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -0.699
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -133.370345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.370345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.370345 (E_RNA)
where:
Base-Base interactions energy: -83.511
where: short stacking energy: -39.157
Base-Backbone interact. energy: -0.430
local terms energy: -49.429394
where:
bonds (distance) C4'-P energy: -7.584
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -8.796
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: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -241.484610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.484610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.484610 (E_RNA)
where:
Base-Base interactions energy: -164.908
where: short stacking energy: -68.167
Base-Backbone interact. energy: -1.265
local terms energy: -75.310842
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -244.006554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.006554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.006554 (E_RNA)
where:
Base-Base interactions energy: -172.280
where: short stacking energy: -64.130
Base-Backbone interact. energy: -0.095
local terms energy: -71.632099
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -11.487
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: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -247.879562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.879562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.879562 (E_RNA)
where:
Base-Base interactions energy: -170.374
where: short stacking energy: -81.025
Base-Backbone interact. energy: -1.127
local terms energy: -76.378483
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -234.769429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.769429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.769429 (E_RNA)
where:
Base-Base interactions energy: -163.941
where: short stacking energy: -69.426
Base-Backbone interact. energy: -0.493
local terms energy: -70.335626
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.810
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: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -210.863241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.863241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.863241 (E_RNA)
where:
Base-Base interactions energy: -137.846
where: short stacking energy: -70.093
Base-Backbone interact. energy: 2.415
local terms energy: -75.432256
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -12.469
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: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -227.324988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.324988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.324988 (E_RNA)
where:
Base-Base interactions energy: -157.107
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.004
local terms energy: -70.213458
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -213.484947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.484947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.484947 (E_RNA)
where:
Base-Base interactions energy: -142.257
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.150
local terms energy: -71.078438
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -178.038496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.038496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.038496 (E_RNA)
where:
Base-Base interactions energy: -123.155
where: short stacking energy: -55.172
Base-Backbone interact. energy: 1.252
local terms energy: -56.135738
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -12.865
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: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -79.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.495246 (E_RNA)
where:
Base-Base interactions energy: -37.055
where: short stacking energy: -32.535
Base-Backbone interact. energy: -0.112
local terms energy: -42.327864
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -5.259
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -78.422257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.422257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.422257 (E_RNA)
where:
Base-Base interactions energy: -30.323
where: short stacking energy: -30.323
Base-Backbone interact. energy: -0.178
local terms energy: -47.921525
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -251.086649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.086649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.086649 (E_RNA)
where:
Base-Base interactions energy: -176.438
where: short stacking energy: -70.224
Base-Backbone interact. energy: -0.212
local terms energy: -74.435925
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -237.609460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.609460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.609460 (E_RNA)
where:
Base-Base interactions energy: -163.253
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.047
local terms energy: -74.308680
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -234.681647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.681647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.681647 (E_RNA)
where:
Base-Base interactions energy: -158.961
where: short stacking energy: -73.586
Base-Backbone interact. energy: -0.677
local terms energy: -75.043796
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -235.284373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.284373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.284373 (E_RNA)
where:
Base-Base interactions energy: -162.086
where: short stacking energy: -73.273
Base-Backbone interact. energy: -0.041
local terms energy: -73.156942
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -232.316418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.316418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.316418 (E_RNA)
where:
Base-Base interactions energy: -155.060
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.009
local terms energy: -77.247895
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -205.746143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.746143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.746143 (E_RNA)
where:
Base-Base interactions energy: -146.359
where: short stacking energy: -59.307
Base-Backbone interact. energy: -0.116
local terms energy: -59.271910
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -5.368
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: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -199.679786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.679786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.679786 (E_RNA)
where:
Base-Base interactions energy: -139.205
where: short stacking energy: -61.944
Base-Backbone interact. energy: -0.016
local terms energy: -60.458957
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -5.296
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: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -164.758594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.758594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.758594 (E_RNA)
where:
Base-Base interactions energy: -105.475
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.704
local terms energy: -58.579787
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -9.175
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: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -85.194593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.194593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.194593 (E_RNA)
where:
Base-Base interactions energy: -34.809
where: short stacking energy: -34.809
Base-Backbone interact. energy: -0.070
local terms energy: -50.316319
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -85.633715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.633715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.633715 (E_RNA)
where:
Base-Base interactions energy: -42.182
where: short stacking energy: -23.704
Base-Backbone interact. energy: 0.168
local terms energy: -43.619787
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -253.276561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.276561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.276561 (E_RNA)
where:
Base-Base interactions energy: -177.713
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.063
local terms energy: -75.500772
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -238.996370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.996370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.996370 (E_RNA)
where:
Base-Base interactions energy: -166.940
where: short stacking energy: -72.585
Base-Backbone interact. energy: -0.320
local terms energy: -71.736087
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -20.066
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: 55
Temperature: 1.000000
Total energy: -234.536666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.536666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.536666 (E_RNA)
where:
Base-Base interactions energy: -159.758
where: short stacking energy: -74.164
Base-Backbone interact. energy: -0.399
local terms energy: -74.379702
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -242.416240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.416240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.416240 (E_RNA)
where:
Base-Base interactions energy: -164.315
where: short stacking energy: -77.019
Base-Backbone interact. energy: -0.272
local terms energy: -77.828866
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -229.965211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.965211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.965211 (E_RNA)
where:
Base-Base interactions energy: -165.694
where: short stacking energy: -70.724
Base-Backbone interact. energy: -1.676
local terms energy: -62.594898
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -18.116
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: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -208.386706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.386706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.386706 (E_RNA)
where:
Base-Base interactions energy: -144.948
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.012
local terms energy: -63.426891
where:
bonds (distance) C4'-P energy: -7.505
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -202.301850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.301850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.301850 (E_RNA)
where:
Base-Base interactions energy: -136.993
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.205
local terms energy: -65.104063
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -11.892
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: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -85.713298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.713298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.713298 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -35.624
Base-Backbone interact. energy: -0.045
local terms energy: -50.044658
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -7.863
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: 55
Temperature: 1.300000
Total energy: -158.691734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.691734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.691734 (E_RNA)
where:
Base-Base interactions energy: -103.378
where: short stacking energy: -45.806
Base-Backbone interact. energy: -0.405
local terms energy: -54.908777
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -10.944
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: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -78.734781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.734781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.734781 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -38.088
Base-Backbone interact. energy: 0.103
local terms energy: -40.749722
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -247.542248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.542248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.542248 (E_RNA)
where:
Base-Base interactions energy: -171.701
where: short stacking energy: -79.910
Base-Backbone interact. energy: -1.185
local terms energy: -74.656138
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -248.881010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.881010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.881010 (E_RNA)
where:
Base-Base interactions energy: -175.187
where: short stacking energy: -69.212
Base-Backbone interact. energy: -0.132
local terms energy: -73.562242
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -231.525531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.525531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.525531 (E_RNA)
where:
Base-Base interactions energy: -164.151
where: short stacking energy: -67.196
Base-Backbone interact. energy: -0.629
local terms energy: -66.744949
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -234.403797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.403797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.403797 (E_RNA)
where:
Base-Base interactions energy: -164.548
where: short stacking energy: -73.150
Base-Backbone interact. energy: -0.070
local terms energy: -69.785548
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -205.857719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.857719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.857719 (E_RNA)
where:
Base-Base interactions energy: -139.105
where: short stacking energy: -62.793
Base-Backbone interact. energy: -0.036
local terms energy: -66.716181
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -11.607
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: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -216.917676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.917676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.917676 (E_RNA)
where:
Base-Base interactions energy: -149.237
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.136
local terms energy: -67.544658
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -12.969
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: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -210.126183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.126183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.126183 (E_RNA)
where:
Base-Base interactions energy: -147.644
where: short stacking energy: -58.545
Base-Backbone interact. energy: -0.027
local terms energy: -62.455455
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -81.071879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.071879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.071879 (E_RNA)
where:
Base-Base interactions energy: -26.628
where: short stacking energy: -26.059
Base-Backbone interact. energy: -0.774
local terms energy: -53.669928
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -165.838122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.838122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.838122 (E_RNA)
where:
Base-Base interactions energy: -106.091
where: short stacking energy: -46.470
Base-Backbone interact. energy: -0.814
local terms energy: -58.932836
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -67.362776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.362776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.362776 (E_RNA)
where:
Base-Base interactions energy: -28.202
where: short stacking energy: -19.058
Base-Backbone interact. energy: -0.060
local terms energy: -39.101544
where:
bonds (distance) C4'-P energy: -7.894
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -2.099
tors. eta vs tors. theta energy: 1.103
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: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -240.311735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.311735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.311735 (E_RNA)
where:
Base-Base interactions energy: -167.532
where: short stacking energy: -74.152
Base-Backbone interact. energy: -0.238
local terms energy: -72.541240
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -22.044
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: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -243.141058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.141058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.141058 (E_RNA)
where:
Base-Base interactions energy: -170.457
where: short stacking energy: -70.924
Base-Backbone interact. energy: -0.050
local terms energy: -72.633840
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -236.405869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.405869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.405869 (E_RNA)
where:
Base-Base interactions energy: -167.366
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.468
local terms energy: -68.571513
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -15.312
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: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -237.584025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.584025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.584025 (E_RNA)
where:
Base-Base interactions energy: -169.813
where: short stacking energy: -76.767
Base-Backbone interact. energy: -1.233
local terms energy: -66.537711
where:
bonds (distance) C4'-P energy: -7.310
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -208.963452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.963452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.963452 (E_RNA)
where:
Base-Base interactions energy: -146.207
where: short stacking energy: -69.114
Base-Backbone interact. energy: 1.115
local terms energy: -63.872137
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -10.143
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: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -201.048289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.048289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.048289 (E_RNA)
where:
Base-Base interactions energy: -137.585
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.437
local terms energy: -63.026297
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -17.041
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: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -223.031962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.031962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.031962 (E_RNA)
where:
Base-Base interactions energy: -153.351
where: short stacking energy: -69.198
Base-Backbone interact. energy: -0.005
local terms energy: -69.675288
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -21.375
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: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -133.101476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.101476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.101476 (E_RNA)
where:
Base-Base interactions energy: -75.613
where: short stacking energy: -42.043
Base-Backbone interact. energy: -0.966
local terms energy: -56.522971
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -4.437
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: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -78.634960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.634960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.634960 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.205
local terms energy: -44.159921
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -77.183741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.183741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.183741 (E_RNA)
where:
Base-Base interactions energy: -27.141
where: short stacking energy: -27.141
Base-Backbone interact. energy: -0.052
local terms energy: -49.991001
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -245.803227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.803227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.803227 (E_RNA)
where:
Base-Base interactions energy: -172.290
where: short stacking energy: -74.987
Base-Backbone interact. energy: -0.366
local terms energy: -73.147327
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -245.344795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.344795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.344795 (E_RNA)
where:
Base-Base interactions energy: -168.532
where: short stacking energy: -77.984
Base-Backbone interact. energy: -0.002
local terms energy: -76.810811
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -19.962
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: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -229.057517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.057517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.057517 (E_RNA)
where:
Base-Base interactions energy: -159.051
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.455
local terms energy: -69.551160
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -11.390
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: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -235.537546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.537546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.537546 (E_RNA)
where:
Base-Base interactions energy: -162.505
where: short stacking energy: -62.814
Base-Backbone interact. energy: -0.086
local terms energy: -72.946457
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -12.285
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: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -206.192585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.192585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.192585 (E_RNA)
where:
Base-Base interactions energy: -137.620
where: short stacking energy: -65.074
Base-Backbone interact. energy: -0.023
local terms energy: -68.549402
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -9.612
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: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -190.229409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.229409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.229409 (E_RNA)
where:
Base-Base interactions energy: -132.639
where: short stacking energy: -66.541
Base-Backbone interact. energy: -0.066
local terms energy: -57.525118
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -202.519041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.519041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.519041 (E_RNA)
where:
Base-Base interactions energy: -136.770
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.139
local terms energy: -65.610063
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -18.148
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: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -102.109604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.109604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.109604 (E_RNA)
where:
Base-Base interactions energy: -53.422
where: short stacking energy: -29.704
Base-Backbone interact. energy: 1.089
local terms energy: -49.777330
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -7.327
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: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -78.194137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.194137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.194137 (E_RNA)
where:
Base-Base interactions energy: -26.049
where: short stacking energy: -24.038
Base-Backbone interact. energy: -0.072
local terms energy: -52.073744
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -86.238002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.238002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.238002 (E_RNA)
where:
Base-Base interactions energy: -38.249
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.175
local terms energy: -47.813783
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -8.958
flat angles P-C4'-P energy: -1.145
tors. eta vs tors. theta energy: -10.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -244.728536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.728536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.728536 (E_RNA)
where:
Base-Base interactions energy: -165.284
where: short stacking energy: -74.417
Base-Backbone interact. energy: -0.156
local terms energy: -79.288715
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -234.051740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.051740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.051740 (E_RNA)
where:
Base-Base interactions energy: -164.384
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.958
local terms energy: -68.709139
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -244.278618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.278618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.278618 (E_RNA)
where:
Base-Base interactions energy: -166.134
where: short stacking energy: -80.513
Base-Backbone interact. energy: -0.469
local terms energy: -77.675405
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -22.496
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: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -233.286130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.286130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.286130 (E_RNA)
where:
Base-Base interactions energy: -157.213
where: short stacking energy: -72.034
Base-Backbone interact. energy: -0.013
local terms energy: -76.060935
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -211.998196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.998196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.998196 (E_RNA)
where:
Base-Base interactions energy: -157.838
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.047
local terms energy: -54.113577
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -8.480
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: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -203.311098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.311098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.311098 (E_RNA)
where:
Base-Base interactions energy: -138.858
where: short stacking energy: -68.349
Base-Backbone interact. energy: -0.002
local terms energy: -64.450760
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -214.974699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.974699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.974699 (E_RNA)
where:
Base-Base interactions energy: -148.328
where: short stacking energy: -60.741
Base-Backbone interact. energy: -0.020
local terms energy: -66.625831
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -121.427308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.427308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.427308 (E_RNA)
where:
Base-Base interactions energy: -61.345
where: short stacking energy: -39.084
Base-Backbone interact. energy: -0.126
local terms energy: -59.955994
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -91.616946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.616946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.616946 (E_RNA)
where:
Base-Base interactions energy: -54.429
where: short stacking energy: -22.126
Base-Backbone interact. energy: -0.111
local terms energy: -37.077399
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -10.431
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: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -76.506448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.506448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.506448 (E_RNA)
where:
Base-Base interactions energy: -28.445
where: short stacking energy: -20.159
Base-Backbone interact. energy: 1.437
local terms energy: -49.499189
where:
bonds (distance) C4'-P energy: -7.472
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: 0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -253.007859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.007859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.007859 (E_RNA)
where:
Base-Base interactions energy: -175.827
where: short stacking energy: -78.774
Base-Backbone interact. energy: -0.239
local terms energy: -76.942271
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -239.554344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.554344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.554344 (E_RNA)
where:
Base-Base interactions energy: -164.281
where: short stacking energy: -78.293
Base-Backbone interact. energy: -0.602
local terms energy: -74.671858
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -244.982685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.982685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.982685 (E_RNA)
where:
Base-Base interactions energy: -167.717
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.001
local terms energy: -77.263991
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -235.468577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.468577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.468577 (E_RNA)
where:
Base-Base interactions energy: -164.315
where: short stacking energy: -70.746
Base-Backbone interact. energy: -0.074
local terms energy: -71.079447
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -18.561
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: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -198.938105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.938105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.938105 (E_RNA)
where:
Base-Base interactions energy: -145.799
where: short stacking energy: -56.590
Base-Backbone interact. energy: 0.088
local terms energy: -53.226943
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -6.871
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: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -196.458542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.458542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.458542 (E_RNA)
where:
Base-Base interactions energy: -134.594
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.200
local terms energy: -61.663993
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -13.666
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: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -225.208164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.208164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.208164 (E_RNA)
where:
Base-Base interactions energy: -152.393
where: short stacking energy: -66.551
Base-Backbone interact. energy: -0.062
local terms energy: -72.752707
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -85.825487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.825487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.825487 (E_RNA)
where:
Base-Base interactions energy: -42.257
where: short stacking energy: -29.441
Base-Backbone interact. energy: -0.402
local terms energy: -43.166020
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -1.229
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: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -110.592707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.592707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.592707 (E_RNA)
where:
Base-Base interactions energy: -56.851
where: short stacking energy: -30.606
Base-Backbone interact. energy: -1.012
local terms energy: -52.729963
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -75.229697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.229697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.229697 (E_RNA)
where:
Base-Base interactions energy: -35.013
where: short stacking energy: -28.611
Base-Backbone interact. energy: -0.349
local terms energy: -39.867333
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -7.242
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: 1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -246.211055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.211055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.211055 (E_RNA)
where:
Base-Base interactions energy: -167.681
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.089
local terms energy: -78.441693
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -18.923
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: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -246.849225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.849225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.849225 (E_RNA)
where:
Base-Base interactions energy: -165.794
where: short stacking energy: -78.271
Base-Backbone interact. energy: -1.935
local terms energy: -79.120290
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -20.588
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: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -234.475250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.475250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.475250 (E_RNA)
where:
Base-Base interactions energy: -162.476
where: short stacking energy: -72.013
Base-Backbone interact. energy: -0.342
local terms energy: -71.657371
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -17.782
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: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -234.461857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.461857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.461857 (E_RNA)
where:
Base-Base interactions energy: -157.461
where: short stacking energy: -69.764
Base-Backbone interact. energy: -0.468
local terms energy: -76.532341
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -204.411024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.411024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.411024 (E_RNA)
where:
Base-Base interactions energy: -137.505
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.046
local terms energy: -66.860361
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -7.384
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -11.174
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: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -224.165190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.165190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.165190 (E_RNA)
where:
Base-Base interactions energy: -159.021
where: short stacking energy: -65.381
Base-Backbone interact. energy: -0.427
local terms energy: -64.717220
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -10.981
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: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -195.535531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.535531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.535531 (E_RNA)
where:
Base-Base interactions energy: -131.519
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.339
local terms energy: -63.677606
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -77.375268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.375268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.375268 (E_RNA)
where:
Base-Base interactions energy: -32.334
where: short stacking energy: -19.216
Base-Backbone interact. energy: -0.237
local terms energy: -44.804253
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: 3.805
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: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -75.474962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.474962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.474962 (E_RNA)
where:
Base-Base interactions energy: -26.188
where: short stacking energy: -26.090
Base-Backbone interact. energy: 0.072
local terms energy: -49.358257
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -94.289791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.289791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.289791 (E_RNA)
where:
Base-Base interactions energy: -48.018
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.113
local terms energy: -46.158818
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -247.085804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.085804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.085804 (E_RNA)
where:
Base-Base interactions energy: -170.167
where: short stacking energy: -75.062
Base-Backbone interact. energy: -1.073
local terms energy: -75.845646
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -241.064283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.064283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.064283 (E_RNA)
where:
Base-Base interactions energy: -168.005
where: short stacking energy: -79.383
Base-Backbone interact. energy: -0.001
local terms energy: -73.057753
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -10.485
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: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -244.271082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.271082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.271082 (E_RNA)
where:
Base-Base interactions energy: -169.859
where: short stacking energy: -71.079
Base-Backbone interact. energy: -0.284
local terms energy: -74.127660
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -241.144573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.144573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.144573 (E_RNA)
where:
Base-Base interactions energy: -168.692
where: short stacking energy: -77.174
Base-Backbone interact. energy: -0.157
local terms energy: -72.295114
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -21.466
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: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -225.116293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.116293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.116293 (E_RNA)
where:
Base-Base interactions energy: -157.708
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.056
local terms energy: -67.352616
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -11.753
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: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -198.573523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.573523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.573523 (E_RNA)
where:
Base-Base interactions energy: -131.685
where: short stacking energy: -65.216
Base-Backbone interact. energy: -0.039
local terms energy: -66.849392
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -18.437
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: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -178.212644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.212644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.212644 (E_RNA)
where:
Base-Base interactions energy: -110.391
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.001
local terms energy: -67.820191
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -9.913
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: 62
Temperature: 1.250000
Total energy: -93.587142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.587142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.587142 (E_RNA)
where:
Base-Base interactions energy: -42.434
where: short stacking energy: -42.434
Base-Backbone interact. energy: -0.135
local terms energy: -51.018054
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -2.881
tors. eta vs tors. theta energy: -6.865
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: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -86.510912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.510912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.510912 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -22.040
Base-Backbone interact. energy: -0.147
local terms energy: -47.909874
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -7.553
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: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -67.528641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.528641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.528641 (E_RNA)
where:
Base-Base interactions energy: -25.078
where: short stacking energy: -25.078
Base-Backbone interact. energy: -0.135
local terms energy: -42.316159
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -8.468
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: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -249.465748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.465748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.465748 (E_RNA)
where:
Base-Base interactions energy: -173.436
where: short stacking energy: -73.292
Base-Backbone interact. energy: -0.862
local terms energy: -75.167982
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -237.746887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.746887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.746887 (E_RNA)
where:
Base-Base interactions energy: -165.040
where: short stacking energy: -76.620
Base-Backbone interact. energy: -0.016
local terms energy: -72.690805
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -19.766
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: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -237.408392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.408392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.408392 (E_RNA)
where:
Base-Base interactions energy: -160.221
where: short stacking energy: -80.899
Base-Backbone interact. energy: 0.602
local terms energy: -77.789791
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -238.209559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.209559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.209559 (E_RNA)
where:
Base-Base interactions energy: -159.506
where: short stacking energy: -70.829
Base-Backbone interact. energy: -0.234
local terms energy: -78.469525
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -231.866699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.866699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.866699 (E_RNA)
where:
Base-Base interactions energy: -165.099
where: short stacking energy: -63.910
Base-Backbone interact. energy: -0.018
local terms energy: -66.749042
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -10.691
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: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -204.613156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.613156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.613156 (E_RNA)
where:
Base-Base interactions energy: -140.371
where: short stacking energy: -64.566
Base-Backbone interact. energy: -0.001
local terms energy: -64.241581
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -8.514
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: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -191.839767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.839767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.839767 (E_RNA)
where:
Base-Base interactions energy: -126.882
where: short stacking energy: -61.267
Base-Backbone interact. energy: -0.018
local terms energy: -64.939061
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -98.952441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.952441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.952441 (E_RNA)
where:
Base-Base interactions energy: -49.560
where: short stacking energy: -30.272
Base-Backbone interact. energy: -0.008
local terms energy: -49.384088
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -5.283
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: 63
Temperature: 1.300000
Total energy: -71.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.313472 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -26.127
Base-Backbone interact. energy: -0.533
local terms energy: -42.739033
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -68.370384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.370384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.370384 (E_RNA)
where:
Base-Base interactions energy: -26.618
where: short stacking energy: -26.618
Base-Backbone interact. energy: 0.430
local terms energy: -42.182357
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: 1.277
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: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -245.504396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.504396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.504396 (E_RNA)
where:
Base-Base interactions energy: -171.221
where: short stacking energy: -76.275
Base-Backbone interact. energy: -0.995
local terms energy: -73.287939
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -243.345312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.345312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.345312 (E_RNA)
where:
Base-Base interactions energy: -167.357
where: short stacking energy: -75.647
Base-Backbone interact. energy: -0.000
local terms energy: -75.987570
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -22.472
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: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -231.633305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.633305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.633305 (E_RNA)
where:
Base-Base interactions energy: -158.162
where: short stacking energy: -68.907
Base-Backbone interact. energy: -0.160
local terms energy: -73.310452
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -242.324165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.324165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.324165 (E_RNA)
where:
Base-Base interactions energy: -165.802
where: short stacking energy: -77.355
Base-Backbone interact. energy: -1.291
local terms energy: -75.231517
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -233.878896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.878896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.878896 (E_RNA)
where:
Base-Base interactions energy: -158.386
where: short stacking energy: -69.571
Base-Backbone interact. energy: -0.003
local terms energy: -75.489514
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -21.784
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: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -181.215745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.215745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.215745 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.438
local terms energy: -58.710441
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -10.781
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: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -181.942402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.942402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.942402 (E_RNA)
where:
Base-Base interactions energy: -120.047
where: short stacking energy: -52.341
Base-Backbone interact. energy: -0.292
local terms energy: -61.603412
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -85.747142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.747142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.747142 (E_RNA)
where:
Base-Base interactions energy: -44.192
where: short stacking energy: -28.160
Base-Backbone interact. energy: -0.180
local terms energy: -41.375087
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -77.503817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.503817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.503817 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.529
local terms energy: -49.464100
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -72.626866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.626866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.626866 (E_RNA)
where:
Base-Base interactions energy: -31.635
where: short stacking energy: -24.790
Base-Backbone interact. energy: -0.167
local terms energy: -40.825293
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -0.873
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: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -249.344598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.344598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.344598 (E_RNA)
where:
Base-Base interactions energy: -171.371
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.001
local terms energy: -77.972329
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -247.149743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.149743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.149743 (E_RNA)
where:
Base-Base interactions energy: -169.021
where: short stacking energy: -78.476
Base-Backbone interact. energy: -0.004
local terms energy: -78.125192
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -240.165350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.165350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.165350 (E_RNA)
where:
Base-Base interactions energy: -170.735
where: short stacking energy: -67.984
Base-Backbone interact. energy: -0.005
local terms energy: -69.424898
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -232.374528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.374528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.374528 (E_RNA)
where:
Base-Base interactions energy: -154.780
where: short stacking energy: -69.465
Base-Backbone interact. energy: -0.407
local terms energy: -77.187353
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -240.896673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.896673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.896673 (E_RNA)
where:
Base-Base interactions energy: -162.659
where: short stacking energy: -76.830
Base-Backbone interact. energy: -0.166
local terms energy: -78.070710
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -22.781
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: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -206.583833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.583833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.583833 (E_RNA)
where:
Base-Base interactions energy: -142.855
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.003
local terms energy: -63.725844
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -202.295530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.295530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.295530 (E_RNA)
where:
Base-Base interactions energy: -133.480
where: short stacking energy: -62.167
Base-Backbone interact. energy: -1.062
local terms energy: -67.754310
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -18.437
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: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -91.050000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.050000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.050000 (E_RNA)
where:
Base-Base interactions energy: -44.165
where: short stacking energy: -21.892
Base-Backbone interact. energy: -0.015
local terms energy: -46.869778
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -8.564
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -4.243
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: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -91.893037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.893037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.893037 (E_RNA)
where:
Base-Base interactions energy: -51.304
where: short stacking energy: -30.734
Base-Backbone interact. energy: 1.540
local terms energy: -42.128462
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -7.451
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -78.645965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.645965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.645965 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -34.084
Base-Backbone interact. energy: -0.015
local terms energy: -43.466402
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -8.955
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -246.114810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.114810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.114810 (E_RNA)
where:
Base-Base interactions energy: -166.805
where: short stacking energy: -77.533
Base-Backbone interact. energy: -0.279
local terms energy: -79.030023
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -18.542
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: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -239.916094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.916094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.916094 (E_RNA)
where:
Base-Base interactions energy: -161.078
where: short stacking energy: -76.674
Base-Backbone interact. energy: -0.011
local terms energy: -78.827283
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -237.273689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.273689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.273689 (E_RNA)
where:
Base-Base interactions energy: -164.507
where: short stacking energy: -71.450
Base-Backbone interact. energy: -0.005
local terms energy: -72.761469
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -14.931
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: 66
Temperature: 1.050000
Total energy: -231.641281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.641281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.641281 (E_RNA)
where:
Base-Base interactions energy: -159.940
where: short stacking energy: -74.521
Base-Backbone interact. energy: -0.000
local terms energy: -71.701399
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -10.571
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -233.541382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.541382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.541382 (E_RNA)
where:
Base-Base interactions energy: -163.658
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.028
local terms energy: -69.855087
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -8.581
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: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -201.672856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.672856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.672856 (E_RNA)
where:
Base-Base interactions energy: -132.663
where: short stacking energy: -63.513
Base-Backbone interact. energy: -0.311
local terms energy: -68.698301
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -196.786585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.786585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.786585 (E_RNA)
where:
Base-Base interactions energy: -135.051
where: short stacking energy: -61.081
Base-Backbone interact. energy: -0.072
local terms energy: -61.663448
where:
bonds (distance) C4'-P energy: -8.134
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -15.531
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: 66
Temperature: 1.250000
Total energy: -84.412934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.412934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.412934 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -19.268
Base-Backbone interact. energy: -0.497
local terms energy: -46.680559
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -85.921367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.921367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.921367 (E_RNA)
where:
Base-Base interactions energy: -35.767
where: short stacking energy: -29.844
Base-Backbone interact. energy: -0.965
local terms energy: -49.189225
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -76.915306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.915306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.915306 (E_RNA)
where:
Base-Base interactions energy: -28.047
where: short stacking energy: -25.863
Base-Backbone interact. energy: -0.224
local terms energy: -48.644118
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -10.702
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: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -245.299382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.299382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.299382 (E_RNA)
where:
Base-Base interactions energy: -163.606
where: short stacking energy: -77.312
Base-Backbone interact. energy: -0.012
local terms energy: -81.681695
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -21.790
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: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -240.902690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.902690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.902690 (E_RNA)
where:
Base-Base interactions energy: -163.493
where: short stacking energy: -66.732
Base-Backbone interact. energy: -0.097
local terms energy: -77.312013
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -234.106005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.106005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.106005 (E_RNA)
where:
Base-Base interactions energy: -159.211
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.043
local terms energy: -74.852107
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -240.023376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.023376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.023376 (E_RNA)
where:
Base-Base interactions energy: -163.181
where: short stacking energy: -76.781
Base-Backbone interact. energy: -1.040
local terms energy: -75.802746
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -237.822151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.822151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.822151 (E_RNA)
where:
Base-Base interactions energy: -172.880
where: short stacking energy: -80.736
Base-Backbone interact. energy: -1.123
local terms energy: -63.819151
where:
bonds (distance) C4'-P energy: -7.815
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -20.426
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: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -201.179972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.179972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.179972 (E_RNA)
where:
Base-Base interactions energy: -133.343
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.159
local terms energy: -67.677845
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -10.126
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: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -195.859293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.859293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.859293 (E_RNA)
where:
Base-Base interactions energy: -126.803
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.038
local terms energy: -69.018559
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -12.750
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: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -86.262223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.262223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.262223 (E_RNA)
where:
Base-Base interactions energy: -38.697
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.018
local terms energy: -47.547684
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -4.578
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: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -79.090928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.090928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.090928 (E_RNA)
where:
Base-Base interactions energy: -31.591
where: short stacking energy: -31.327
Base-Backbone interact. energy: -1.397
local terms energy: -46.103276
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -1.391
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: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -83.264685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.264685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.264685 (E_RNA)
where:
Base-Base interactions energy: -36.763
where: short stacking energy: -35.713
Base-Backbone interact. energy: -0.030
local terms energy: -46.471502
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -10.122
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: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -242.705877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.705877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.705877 (E_RNA)
where:
Base-Base interactions energy: -168.022
where: short stacking energy: -78.078
Base-Backbone interact. energy: -0.062
local terms energy: -74.622001
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -17.116
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: 68
Temperature: 0.950000
Total energy: -241.464078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.464078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.464078 (E_RNA)
where:
Base-Base interactions energy: -166.619
where: short stacking energy: -72.675
Base-Backbone interact. energy: -1.248
local terms energy: -73.596719
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -18.985
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: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -243.458303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.458303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.458303 (E_RNA)
where:
Base-Base interactions energy: -170.553
where: short stacking energy: -76.400
Base-Backbone interact. energy: -1.351
local terms energy: -71.555064
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -232.600083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.600083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.600083 (E_RNA)
where:
Base-Base interactions energy: -165.396
where: short stacking energy: -67.849
Base-Backbone interact. energy: -0.284
local terms energy: -66.919920
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -16.332
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: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -215.792020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.792020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.792020 (E_RNA)
where:
Base-Base interactions energy: -153.641
where: short stacking energy: -65.331
Base-Backbone interact. energy: -0.335
local terms energy: -61.816243
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -7.490
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: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -200.682266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.682266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.682266 (E_RNA)
where:
Base-Base interactions energy: -135.401
where: short stacking energy: -63.579
Base-Backbone interact. energy: -0.135
local terms energy: -65.146554
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.890
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: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -205.893193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.893193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.893193 (E_RNA)
where:
Base-Base interactions energy: -142.491
where: short stacking energy: -67.188
Base-Backbone interact. energy: 0.438
local terms energy: -63.840053
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -17.994
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: 68
Temperature: 1.250000
Total energy: -91.594686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.594686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.594686 (E_RNA)
where:
Base-Base interactions energy: -48.340
where: short stacking energy: -31.995
Base-Backbone interact. energy: -0.149
local terms energy: -43.106559
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -89.789946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789946 (E_RNA)
where:
Base-Base interactions energy: -41.657
where: short stacking energy: -28.319
Base-Backbone interact. energy: -0.642
local terms energy: -47.491276
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -75.712880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.712880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.712880 (E_RNA)
where:
Base-Base interactions energy: -23.388
where: short stacking energy: -20.854
Base-Backbone interact. energy: 0.116
local terms energy: -52.440708
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -249.909280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.909280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.909280 (E_RNA)
where:
Base-Base interactions energy: -171.899
where: short stacking energy: -81.025
Base-Backbone interact. energy: -1.345
local terms energy: -76.664909
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -22.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -250.904446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.904446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.904446 (E_RNA)
where:
Base-Base interactions energy: -172.849
where: short stacking energy: -78.207
Base-Backbone interact. energy: -0.098
local terms energy: -77.957333
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -235.208730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.208730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.208730 (E_RNA)
where:
Base-Base interactions energy: -163.813
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.080
local terms energy: -71.315614
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -11.781
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: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -232.053876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.053876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.053876 (E_RNA)
where:
Base-Base interactions energy: -162.627
where: short stacking energy: -65.051
Base-Backbone interact. energy: -0.019
local terms energy: -69.407448
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.369
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: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -233.469501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.469501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.469501 (E_RNA)
where:
Base-Base interactions energy: -164.667
where: short stacking energy: -70.266
Base-Backbone interact. energy: -0.139
local terms energy: -68.663800
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -211.495133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.495133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.495133 (E_RNA)
where:
Base-Base interactions energy: -144.650
where: short stacking energy: -72.329
Base-Backbone interact. energy: -0.108
local terms energy: -66.736947
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -7.758
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -17.802
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: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -214.426329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.426329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.426329 (E_RNA)
where:
Base-Base interactions energy: -143.386
where: short stacking energy: -79.014
Base-Backbone interact. energy: -0.001
local terms energy: -71.040072
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -20.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -86.381404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.381404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.381404 (E_RNA)
where:
Base-Base interactions energy: -44.722
where: short stacking energy: -32.644
Base-Backbone interact. energy: 1.605
local terms energy: -43.264185
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -93.730422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.730422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.730422 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -42.057
Base-Backbone interact. energy: -0.002
local terms energy: -51.672256
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -4.364
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: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -76.225709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.225709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.225709 (E_RNA)
where:
Base-Base interactions energy: -26.391
where: short stacking energy: -26.391
Base-Backbone interact. energy: 0.729
local terms energy: -50.563562
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -247.103868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.103868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.103868 (E_RNA)
where:
Base-Base interactions energy: -175.051
where: short stacking energy: -78.675
Base-Backbone interact. energy: -0.012
local terms energy: -72.040082
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -21.592
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: 2, replica: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -245.705214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.705214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.705214 (E_RNA)
where:
Base-Base interactions energy: -172.895
where: short stacking energy: -80.739
Base-Backbone interact. energy: -0.420
local terms energy: -72.390453
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -19.234
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: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -236.161139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.161139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.161139 (E_RNA)
where:
Base-Base interactions energy: -164.711
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.125
local terms energy: -71.325901
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -15.884
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: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -238.070463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.070463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.070463 (E_RNA)
where:
Base-Base interactions energy: -164.974
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.000
local terms energy: -73.095947
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -212.210764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.210764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.210764 (E_RNA)
where:
Base-Base interactions energy: -142.207
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.079
local terms energy: -69.924286
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -227.224070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.224070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.224070 (E_RNA)
where:
Base-Base interactions energy: -159.878
where: short stacking energy: -75.555
Base-Backbone interact. energy: -0.500
local terms energy: -66.845977
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -8.164
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -201.800738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.800738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.800738 (E_RNA)
where:
Base-Base interactions energy: -136.780
where: short stacking energy: -67.116
Base-Backbone interact. energy: -0.066
local terms energy: -64.954241
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -15.868
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: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -83.793291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.793291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.793291 (E_RNA)
where:
Base-Base interactions energy: -34.419
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.033
local terms energy: -49.340670
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -1.611
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: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -79.558450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.558450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.558450 (E_RNA)
where:
Base-Base interactions energy: -28.562
where: short stacking energy: -25.152
Base-Backbone interact. energy: -0.198
local terms energy: -50.798252
where:
bonds (distance) C4'-P energy: -7.939
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -79.455183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.455183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.455183 (E_RNA)
where:
Base-Base interactions energy: -29.852
where: short stacking energy: -23.956
Base-Backbone interact. energy: -0.088
local terms energy: -49.515112
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -7.558
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -2.520
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: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -245.332327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.332327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.332327 (E_RNA)
where:
Base-Base interactions energy: -165.169
where: short stacking energy: -78.158
Base-Backbone interact. energy: -0.900
local terms energy: -79.262725
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -240.312098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.312098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.312098 (E_RNA)
where:
Base-Base interactions energy: -167.020
where: short stacking energy: -79.875
Base-Backbone interact. energy: -0.000
local terms energy: -73.291456
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -11.893
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: 3, replica: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -237.783834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.783834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.783834 (E_RNA)
where:
Base-Base interactions energy: -163.485
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.064
local terms energy: -74.234837
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -18.135
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: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -211.938554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.938554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.938554 (E_RNA)
where:
Base-Base interactions energy: -145.608
where: short stacking energy: -61.315
Base-Backbone interact. energy: -0.114
local terms energy: -66.216957
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -222.821699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.821699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.821699 (E_RNA)
where:
Base-Base interactions energy: -154.348
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.011
local terms energy: -68.462512
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -224.942993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.942993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.942993 (E_RNA)
where:
Base-Base interactions energy: -153.216
where: short stacking energy: -71.055
Base-Backbone interact. energy: -0.173
local terms energy: -71.554090
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -19.067
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: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -201.153097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.153097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.153097 (E_RNA)
where:
Base-Base interactions energy: -135.393
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.005
local terms energy: -65.755223
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -8.045
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: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -81.977588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.977588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.977588 (E_RNA)
where:
Base-Base interactions energy: -36.763
where: short stacking energy: -34.763
Base-Backbone interact. energy: -0.157
local terms energy: -45.058133
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -4.488
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: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -71.204392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.204392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.204392 (E_RNA)
where:
Base-Base interactions energy: -30.561
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.133
local terms energy: -40.509938
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: 0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -81.106946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.106946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.106946 (E_RNA)
where:
Base-Base interactions energy: -33.827
where: short stacking energy: -28.736
Base-Backbone interact. energy: -0.251
local terms energy: -47.028285
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -7.600
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -245.635909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.635909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.635909 (E_RNA)
where:
Base-Base interactions energy: -173.894
where: short stacking energy: -76.495
Base-Backbone interact. energy: -0.297
local terms energy: -71.444852
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -242.009644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.009644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.009644 (E_RNA)
where:
Base-Base interactions energy: -168.970
where: short stacking energy: -74.391
Base-Backbone interact. energy: -0.025
local terms energy: -73.014271
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -212.951362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.951362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.951362 (E_RNA)
where:
Base-Base interactions energy: -145.528
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.000
local terms energy: -67.422720
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -235.409527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.409527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.409527 (E_RNA)
where:
Base-Base interactions energy: -161.465
where: short stacking energy: -76.855
Base-Backbone interact. energy: -0.291
local terms energy: -73.653637
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -233.506265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.506265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.506265 (E_RNA)
where:
Base-Base interactions energy: -169.329
where: short stacking energy: -79.706
Base-Backbone interact. energy: -0.896
local terms energy: -63.281372
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -221.328456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.328456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.328456 (E_RNA)
where:
Base-Base interactions energy: -158.349
where: short stacking energy: -63.567
Base-Backbone interact. energy: 0.138
local terms energy: -63.117388
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -11.118
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: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -191.336960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.336960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.336960 (E_RNA)
where:
Base-Base interactions energy: -132.456
where: short stacking energy: -60.225
Base-Backbone interact. energy: -0.712
local terms energy: -58.168675
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -78.309124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.309124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.309124 (E_RNA)
where:
Base-Base interactions energy: -39.432
where: short stacking energy: -22.382
Base-Backbone interact. energy: -0.006
local terms energy: -38.871702
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: 3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -90.504932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.504932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.504932 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.465
local terms energy: -51.739279
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -72.014526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.014526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.014526 (E_RNA)
where:
Base-Base interactions energy: -29.213
where: short stacking energy: -27.967
Base-Backbone interact. energy: 0.677
local terms energy: -43.477980
where:
bonds (distance) C4'-P energy: -8.151
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -245.336519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.336519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.336519 (E_RNA)
where:
Base-Base interactions energy: -170.844
where: short stacking energy: -76.463
Base-Backbone interact. energy: -0.578
local terms energy: -73.914573
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -248.769392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.769392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.769392 (E_RNA)
where:
Base-Base interactions energy: -170.805
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.601
local terms energy: -77.363798
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -216.700788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.700788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.700788 (E_RNA)
where:
Base-Base interactions energy: -144.293
where: short stacking energy: -66.674
Base-Backbone interact. energy: 0.996
local terms energy: -73.403632
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -18.673
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: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -234.986571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.986571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.986571 (E_RNA)
where:
Base-Base interactions energy: -161.500
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.630
local terms energy: -72.856537
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -236.681128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.681128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.681128 (E_RNA)
where:
Base-Base interactions energy: -166.021
where: short stacking energy: -70.736
Base-Backbone interact. energy: 0.140
local terms energy: -70.800529
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -18.395
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: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -239.373493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.373493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.373493 (E_RNA)
where:
Base-Base interactions energy: -168.801
where: short stacking energy: -77.085
Base-Backbone interact. energy: -0.011
local terms energy: -70.561519
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -208.949197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.949197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.949197 (E_RNA)
where:
Base-Base interactions energy: -143.303
where: short stacking energy: -65.650
Base-Backbone interact. energy: -0.001
local terms energy: -65.645128
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -94.105673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.105673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.105673 (E_RNA)
where:
Base-Base interactions energy: -43.544
where: short stacking energy: -43.544
Base-Backbone interact. energy: -0.134
local terms energy: -50.427298
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -93.429549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.429549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.429549 (E_RNA)
where:
Base-Base interactions energy: -43.613
where: short stacking energy: -40.120
Base-Backbone interact. energy: 0.117
local terms energy: -49.933401
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: 0.149
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: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -69.122388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.122388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.122388 (E_RNA)
where:
Base-Base interactions energy: -33.556
where: short stacking energy: -26.839
Base-Backbone interact. energy: 1.095
local terms energy: -36.660792
where:
bonds (distance) C4'-P energy: -7.810
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -249.392965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.392965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.392965 (E_RNA)
where:
Base-Base interactions energy: -173.676
where: short stacking energy: -81.921
Base-Backbone interact. energy: -0.076
local terms energy: -75.640745
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -238.763978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.763978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.763978 (E_RNA)
where:
Base-Base interactions energy: -160.689
where: short stacking energy: -71.661
Base-Backbone interact. energy: -0.000
local terms energy: -78.074447
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -21.533
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: 74
Temperature: 1.000000
Total energy: -240.373600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.373600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.373600 (E_RNA)
where:
Base-Base interactions energy: -164.587
where: short stacking energy: -70.623
Base-Backbone interact. energy: -0.002
local terms energy: -75.783791
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -205.671833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.671833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.671833 (E_RNA)
where:
Base-Base interactions energy: -143.052
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.000
local terms energy: -62.619776
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -14.184
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: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -234.504475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.504475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.504475 (E_RNA)
where:
Base-Base interactions energy: -167.922
where: short stacking energy: -64.409
Base-Backbone interact. energy: -0.815
local terms energy: -65.768243
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -225.992444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.992444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.992444 (E_RNA)
where:
Base-Base interactions energy: -155.520
where: short stacking energy: -71.145
Base-Backbone interact. energy: -0.658
local terms energy: -69.814200
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -19.278
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: 74
Temperature: 1.200000
Total energy: -199.347651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.347651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.347651 (E_RNA)
where:
Base-Base interactions energy: -144.813
where: short stacking energy: -51.744
Base-Backbone interact. energy: -0.080
local terms energy: -54.454645
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -79.672970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.672970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.672970 (E_RNA)
where:
Base-Base interactions energy: -31.621
where: short stacking energy: -26.145
Base-Backbone interact. energy: 1.451
local terms energy: -49.502421
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -92.999441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.999441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.999441 (E_RNA)
where:
Base-Base interactions energy: -48.573
where: short stacking energy: -38.700
Base-Backbone interact. energy: -0.065
local terms energy: -44.361375
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -2.812
tors. eta vs tors. theta energy: -1.618
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: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -78.106704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.106704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.106704 (E_RNA)
where:
Base-Base interactions energy: -35.727
where: short stacking energy: -31.999
Base-Backbone interact. energy: -0.085
local terms energy: -42.294483
where:
bonds (distance) C4'-P energy: -5.613
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -0.781
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -247.742805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.742805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.742805 (E_RNA)
where:
Base-Base interactions energy: -165.906
where: short stacking energy: -74.516
Base-Backbone interact. energy: -2.181
local terms energy: -79.655585
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -240.972341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.972341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.972341 (E_RNA)
where:
Base-Base interactions energy: -172.877
where: short stacking energy: -72.107
Base-Backbone interact. energy: -0.256
local terms energy: -67.839279
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -17.176
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: 75
Temperature: 1.000000
Total energy: -241.470852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.470852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.470852 (E_RNA)
where:
Base-Base interactions energy: -166.583
where: short stacking energy: -71.975
Base-Backbone interact. energy: -0.681
local terms energy: -74.207019
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -215.049050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.049050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.049050 (E_RNA)
where:
Base-Base interactions energy: -145.271
where: short stacking energy: -77.808
Base-Backbone interact. energy: -0.519
local terms energy: -69.259444
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -238.782592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.782592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.782592 (E_RNA)
where:
Base-Base interactions energy: -171.389
where: short stacking energy: -72.198
Base-Backbone interact. energy: -0.008
local terms energy: -67.384649
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -17.896
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: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -228.689458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.689458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.689458 (E_RNA)
where:
Base-Base interactions energy: -164.765
where: short stacking energy: -76.711
Base-Backbone interact. energy: -0.002
local terms energy: -63.922093
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -192.915486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.915486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.915486 (E_RNA)
where:
Base-Base interactions energy: -127.518
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.578
local terms energy: -64.819380
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.365
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: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -85.610447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.610447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.610447 (E_RNA)
where:
Base-Base interactions energy: -45.638
where: short stacking energy: -45.638
Base-Backbone interact. energy: -0.367
local terms energy: -39.605952
where:
bonds (distance) C4'-P energy: -4.597
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -5.460
flat angles P-C4'-P energy: -4.167
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: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -86.896649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.896649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.896649 (E_RNA)
where:
Base-Base interactions energy: -33.106
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.077
local terms energy: -53.713298
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -2.364
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: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -76.047031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.047031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.047031 (E_RNA)
where:
Base-Base interactions energy: -31.912
where: short stacking energy: -32.549
Base-Backbone interact. energy: -0.257
local terms energy: -43.878685
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -7.734
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -1.875
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: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -245.405991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.405991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.405991 (E_RNA)
where:
Base-Base interactions energy: -169.959
where: short stacking energy: -80.467
Base-Backbone interact. energy: -2.355
local terms energy: -73.091427
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -21.124
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: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -241.664839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.664839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.664839 (E_RNA)
where:
Base-Base interactions energy: -165.011
where: short stacking energy: -75.034
Base-Backbone interact. energy: -0.042
local terms energy: -76.612053
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -20.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -214.873004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.873004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.873004 (E_RNA)
where:
Base-Base interactions energy: -152.545
where: short stacking energy: -63.168
Base-Backbone interact. energy: 0.641
local terms energy: -62.969172
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -3.181
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: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -239.357077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.357077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.357077 (E_RNA)
where:
Base-Base interactions energy: -166.254
where: short stacking energy: -74.658
Base-Backbone interact. energy: -0.001
local terms energy: -73.101173
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -226.876001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.876001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.876001 (E_RNA)
where:
Base-Base interactions energy: -151.727
where: short stacking energy: -66.404
Base-Backbone interact. energy: -0.044
local terms energy: -75.104492
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -217.543212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.543212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.543212 (E_RNA)
where:
Base-Base interactions energy: -152.542
where: short stacking energy: -64.990
Base-Backbone interact. energy: -0.135
local terms energy: -64.866911
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -197.212010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.212010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.212010 (E_RNA)
where:
Base-Base interactions energy: -135.047
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.059
local terms energy: -62.106337
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -17.281
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: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -81.695305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.695305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.695305 (E_RNA)
where:
Base-Base interactions energy: -35.255
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.044
local terms energy: -46.396826
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -81.225334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.225334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.225334 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -25.030
Base-Backbone interact. energy: -0.253
local terms energy: -42.485591
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: 4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -86.048562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.048562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.048562 (E_RNA)
where:
Base-Base interactions energy: -50.686
where: short stacking energy: -23.355
Base-Backbone interact. energy: -0.137
local terms energy: -35.225257
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -6.552
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -7.013
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: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -244.461398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.461398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.461398 (E_RNA)
where:
Base-Base interactions energy: -168.470
where: short stacking energy: -68.570
Base-Backbone interact. energy: -0.315
local terms energy: -75.677056
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -12.787
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: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -236.051699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.051699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.051699 (E_RNA)
where:
Base-Base interactions energy: -162.818
where: short stacking energy: -80.423
Base-Backbone interact. energy: -0.029
local terms energy: -73.204820
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -22.092
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: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -214.879703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.879703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.879703 (E_RNA)
where:
Base-Base interactions energy: -151.218
where: short stacking energy: -54.332
Base-Backbone interact. energy: -0.074
local terms energy: -63.586880
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -8.150
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: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -246.742457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.742457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.742457 (E_RNA)
where:
Base-Base interactions energy: -165.729
where: short stacking energy: -76.525
Base-Backbone interact. energy: -1.232
local terms energy: -79.781384
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -20.304
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: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -237.350113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.350113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.350113 (E_RNA)
where:
Base-Base interactions energy: -162.085
where: short stacking energy: -75.703
Base-Backbone interact. energy: -0.301
local terms energy: -74.964050
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -222.142119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142119 (E_RNA)
where:
Base-Base interactions energy: -154.524
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.674
local terms energy: -66.943465
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -18.382
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: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -210.410935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.410935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.410935 (E_RNA)
where:
Base-Base interactions energy: -149.000
where: short stacking energy: -56.472
Base-Backbone interact. energy: -0.025
local terms energy: -61.386386
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -7.297
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -13.432
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: 77
Temperature: 1.250000
Total energy: -88.740867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.740867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.740867 (E_RNA)
where:
Base-Base interactions energy: -30.897
where: short stacking energy: -28.631
Base-Backbone interact. energy: 0.371
local terms energy: -58.214284
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -9.440
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: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -89.799975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.799975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.799975 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -33.169
Base-Backbone interact. energy: -0.060
local terms energy: -56.570912
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -97.790397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.790397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.790397 (E_RNA)
where:
Base-Base interactions energy: -47.579
where: short stacking energy: -19.096
Base-Backbone interact. energy: -0.196
local terms energy: -50.015130
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -244.704652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.704652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.704652 (E_RNA)
where:
Base-Base interactions energy: -170.341
where: short stacking energy: -79.757
Base-Backbone interact. energy: -0.000
local terms energy: -74.363813
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -21.863
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: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -240.727396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.727396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.727396 (E_RNA)
where:
Base-Base interactions energy: -171.032
where: short stacking energy: -72.295
Base-Backbone interact. energy: -0.010
local terms energy: -69.684699
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -240.012268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.012268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.012268 (E_RNA)
where:
Base-Base interactions energy: -167.532
where: short stacking energy: -74.862
Base-Backbone interact. energy: -0.016
local terms energy: -72.463905
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -18.145
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: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -213.680422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.680422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.680422 (E_RNA)
where:
Base-Base interactions energy: -151.653
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.404
local terms energy: -61.623611
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -6.530
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: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -236.710764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.710764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.710764 (E_RNA)
where:
Base-Base interactions energy: -166.185
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.081
local terms energy: -70.444162
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -8.875
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: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -225.835603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.835603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.835603 (E_RNA)
where:
Base-Base interactions energy: -159.068
where: short stacking energy: -74.964
Base-Backbone interact. energy: -1.468
local terms energy: -65.299992
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -18.497
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: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -196.474166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.474166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.474166 (E_RNA)
where:
Base-Base interactions energy: -135.938
where: short stacking energy: -54.790
Base-Backbone interact. energy: -1.096
local terms energy: -59.440969
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -10.186
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: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -93.581626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.581626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.581626 (E_RNA)
where:
Base-Base interactions energy: -45.431
where: short stacking energy: -35.875
Base-Backbone interact. energy: -0.326
local terms energy: -47.825492
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -74.185533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.185533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.185533 (E_RNA)
where:
Base-Base interactions energy: -25.271
where: short stacking energy: -25.020
Base-Backbone interact. energy: -0.117
local terms energy: -48.797088
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -6.469
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -89.549667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.549667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.549667 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.351
local terms energy: -50.128760
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -247.631100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.631100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.631100 (E_RNA)
where:
Base-Base interactions energy: -170.038
where: short stacking energy: -78.608
Base-Backbone interact. energy: -0.855
local terms energy: -76.737764
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -23.444
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: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -243.677197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.677197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.677197 (E_RNA)
where:
Base-Base interactions energy: -166.280
where: short stacking energy: -77.170
Base-Backbone interact. energy: -0.201
local terms energy: -77.196213
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -233.199336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.199336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.199336 (E_RNA)
where:
Base-Base interactions energy: -160.055
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.052
local terms energy: -73.092281
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -235.700208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.700208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.700208 (E_RNA)
where:
Base-Base interactions energy: -162.573
where: short stacking energy: -73.425
Base-Backbone interact. energy: -0.013
local terms energy: -73.113604
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -21.738
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: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -213.299497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.299497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.299497 (E_RNA)
where:
Base-Base interactions energy: -145.840
where: short stacking energy: -70.779
Base-Backbone interact. energy: -0.020
local terms energy: -67.439808
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -219.454057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.454057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.454057 (E_RNA)
where:
Base-Base interactions energy: -157.264
where: short stacking energy: -70.108
Base-Backbone interact. energy: -0.914
local terms energy: -61.275851
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -223.208509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.208509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.208509 (E_RNA)
where:
Base-Base interactions energy: -159.534
where: short stacking energy: -74.041
Base-Backbone interact. energy: -0.270
local terms energy: -63.405105
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -21.370
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: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -89.406351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.406351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.406351 (E_RNA)
where:
Base-Base interactions energy: -35.847
where: short stacking energy: -24.744
Base-Backbone interact. energy: -0.282
local terms energy: -53.277241
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -93.261685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.261685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.261685 (E_RNA)
where:
Base-Base interactions energy: -50.850
where: short stacking energy: -29.164
Base-Backbone interact. energy: -0.086
local terms energy: -42.325748
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -9.030
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -76.291974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.291974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.291974 (E_RNA)
where:
Base-Base interactions energy: -30.028
where: short stacking energy: -26.524
Base-Backbone interact. energy: -0.083
local terms energy: -46.180854
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -246.059524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.059524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.059524 (E_RNA)
where:
Base-Base interactions energy: -166.705
where: short stacking energy: -77.899
Base-Backbone interact. energy: -0.556
local terms energy: -78.798540
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -21.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -249.926635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.926635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.926635 (E_RNA)
where:
Base-Base interactions energy: -171.348
where: short stacking energy: -79.382
Base-Backbone interact. energy: -0.050
local terms energy: -78.528520
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -240.282056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.282056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.282056 (E_RNA)
where:
Base-Base interactions energy: -167.832
where: short stacking energy: -65.123
Base-Backbone interact. energy: -0.016
local terms energy: -72.434007
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -18.196
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: 80
Temperature: 1.050000
Total energy: -226.226908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.226908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.226908 (E_RNA)
where:
Base-Base interactions energy: -155.417
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.000
local terms energy: -70.809653
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -234.827736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.827736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.827736 (E_RNA)
where:
Base-Base interactions energy: -161.011
where: short stacking energy: -71.270
Base-Backbone interact. energy: 0.178
local terms energy: -73.994708
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -212.804393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.804393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.804393 (E_RNA)
where:
Base-Base interactions energy: -143.270
where: short stacking energy: -61.338
Base-Backbone interact. energy: -1.287
local terms energy: -68.247607
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -219.668239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.668239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.668239 (E_RNA)
where:
Base-Base interactions energy: -151.968
where: short stacking energy: -68.296
Base-Backbone interact. energy: -0.636
local terms energy: -67.064528
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -19.035
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: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -85.558407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.558407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.558407 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -29.766
Base-Backbone interact. energy: 1.699
local terms energy: -52.588792
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -88.072476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.072476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.072476 (E_RNA)
where:
Base-Base interactions energy: -39.039
where: short stacking energy: -35.916
Base-Backbone interact. energy: -0.088
local terms energy: -48.945793
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -109.306743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.306743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.306743 (E_RNA)
where:
Base-Base interactions energy: -64.198
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.104
local terms energy: -45.004230
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -6.062
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: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -245.505811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.505811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.505811 (E_RNA)
where:
Base-Base interactions energy: -170.313
where: short stacking energy: -71.016
Base-Backbone interact. energy: -0.253
local terms energy: -74.939822
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -240.320663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.320663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.320663 (E_RNA)
where:
Base-Base interactions energy: -165.517
where: short stacking energy: -71.482
Base-Backbone interact. energy: -0.073
local terms energy: -74.730352
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -230.191767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.191767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.191767 (E_RNA)
where:
Base-Base interactions energy: -158.252
where: short stacking energy: -73.708
Base-Backbone interact. energy: -0.240
local terms energy: -71.700070
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -229.318248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.318248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.318248 (E_RNA)
where:
Base-Base interactions energy: -164.555
where: short stacking energy: -68.275
Base-Backbone interact. energy: -0.942
local terms energy: -63.821546
where:
bonds (distance) C4'-P energy: -8.722
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -9.210
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: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -234.691970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.691970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.691970 (E_RNA)
where:
Base-Base interactions energy: -160.930
where: short stacking energy: -73.582
Base-Backbone interact. energy: -0.375
local terms energy: -73.387239
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -215.580626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580626 (E_RNA)
where:
Base-Base interactions energy: -150.046
where: short stacking energy: -66.147
Base-Backbone interact. energy: -0.002
local terms energy: -65.532827
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -17.658
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: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -230.165849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.165849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.165849 (E_RNA)
where:
Base-Base interactions energy: -157.379
where: short stacking energy: -72.059
Base-Backbone interact. energy: -0.013
local terms energy: -72.773494
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -20.313
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: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -85.734772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.734772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.734772 (E_RNA)
where:
Base-Base interactions energy: -38.081
where: short stacking energy: -37.322
Base-Backbone interact. energy: 0.350
local terms energy: -48.003823
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -87.136943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136943 (E_RNA)
where:
Base-Base interactions energy: -40.895
where: short stacking energy: -40.694
Base-Backbone interact. energy: 0.661
local terms energy: -46.903113
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -75.130549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.130549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.130549 (E_RNA)
where:
Base-Base interactions energy: -31.312
where: short stacking energy: -20.376
Base-Backbone interact. energy: -0.330
local terms energy: -43.488793
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -245.991013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.991013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.991013 (E_RNA)
where:
Base-Base interactions energy: -174.188
where: short stacking energy: -78.770
Base-Backbone interact. energy: 1.167
local terms energy: -72.970153
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -249.494987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.494987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.494987 (E_RNA)
where:
Base-Base interactions energy: -173.261
where: short stacking energy: -75.439
Base-Backbone interact. energy: 0.066
local terms energy: -76.300481
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -18.967
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: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -229.728998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.728998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.728998 (E_RNA)
where:
Base-Base interactions energy: -162.264
where: short stacking energy: -75.304
Base-Backbone interact. energy: -0.869
local terms energy: -66.596120
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -233.580050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.580050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.580050 (E_RNA)
where:
Base-Base interactions energy: -171.682
where: short stacking energy: -68.558
Base-Backbone interact. energy: -0.656
local terms energy: -61.241645
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -233.598255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.598255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.598255 (E_RNA)
where:
Base-Base interactions energy: -164.595
where: short stacking energy: -72.104
Base-Backbone interact. energy: 0.375
local terms energy: -69.378427
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -212.021313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.021313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.021313 (E_RNA)
where:
Base-Base interactions energy: -142.689
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.056
local terms energy: -69.276487
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -15.598
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: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -223.499456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.499456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.499456 (E_RNA)
where:
Base-Base interactions energy: -157.632
where: short stacking energy: -71.401
Base-Backbone interact. energy: -0.008
local terms energy: -65.858805
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -85.035399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.035399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.035399 (E_RNA)
where:
Base-Base interactions energy: -35.129
where: short stacking energy: -35.129
Base-Backbone interact. energy: -0.001
local terms energy: -49.906212
where:
bonds (distance) C4'-P energy: -7.666
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -118.555234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.555234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.555234 (E_RNA)
where:
Base-Base interactions energy: -70.859
where: short stacking energy: -36.406
Base-Backbone interact. energy: -0.130
local terms energy: -47.566031
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -74.932972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.932972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.932972 (E_RNA)
where:
Base-Base interactions energy: -35.153
where: short stacking energy: -28.616
Base-Backbone interact. energy: -0.018
local terms energy: -39.761630
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -244.168183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.168183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.168183 (E_RNA)
where:
Base-Base interactions energy: -167.999
where: short stacking energy: -82.229
Base-Backbone interact. energy: -0.002
local terms energy: -76.167378
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -21.599
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: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -237.192965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.192965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.192965 (E_RNA)
where:
Base-Base interactions energy: -163.510
where: short stacking energy: -78.158
Base-Backbone interact. energy: -0.008
local terms energy: -73.675003
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -16.809
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: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -234.303976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.303976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.303976 (E_RNA)
where:
Base-Base interactions energy: -161.024
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.009
local terms energy: -73.271009
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -244.201968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.201968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.201968 (E_RNA)
where:
Base-Base interactions energy: -175.245
where: short stacking energy: -73.256
Base-Backbone interact. energy: -0.129
local terms energy: -68.828049
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -228.279429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.279429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.279429 (E_RNA)
where:
Base-Base interactions energy: -160.709
where: short stacking energy: -71.470
Base-Backbone interact. energy: -0.217
local terms energy: -67.353304
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -15.816
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: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -227.042870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.042870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.042870 (E_RNA)
where:
Base-Base interactions energy: -162.906
where: short stacking energy: -63.493
Base-Backbone interact. energy: -0.377
local terms energy: -63.760838
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -204.342466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.342466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.342466 (E_RNA)
where:
Base-Base interactions energy: -139.769
where: short stacking energy: -66.547
Base-Backbone interact. energy: -0.001
local terms energy: -64.571880
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -8.708
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -136.969573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.969573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.969573 (E_RNA)
where:
Base-Base interactions energy: -81.148
where: short stacking energy: -39.420
Base-Backbone interact. energy: -1.111
local terms energy: -54.710537
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -84.946719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.946719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.946719 (E_RNA)
where:
Base-Base interactions energy: -34.589
where: short stacking energy: -34.589
Base-Backbone interact. energy: -0.002
local terms energy: -50.355023
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -6.181
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: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -79.339475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.339475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.339475 (E_RNA)
where:
Base-Base interactions energy: -35.460
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.161
local terms energy: -43.717963
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -241.401292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.401292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.401292 (E_RNA)
where:
Base-Base interactions energy: -165.558
where: short stacking energy: -75.704
Base-Backbone interact. energy: -0.477
local terms energy: -75.367099
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -248.834202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.834202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.834202 (E_RNA)
where:
Base-Base interactions energy: -169.777
where: short stacking energy: -80.397
Base-Backbone interact. energy: -0.158
local terms energy: -78.899675
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -233.164481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.164481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.164481 (E_RNA)
where:
Base-Base interactions energy: -164.495
where: short stacking energy: -73.348
Base-Backbone interact. energy: -0.001
local terms energy: -68.667808
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -242.704056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.704056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.704056 (E_RNA)
where:
Base-Base interactions energy: -162.193
where: short stacking energy: -77.101
Base-Backbone interact. energy: -0.486
local terms energy: -80.025045
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -225.321359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.321359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.321359 (E_RNA)
where:
Base-Base interactions energy: -155.381
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.002
local terms energy: -69.938446
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -222.173140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.173140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.173140 (E_RNA)
where:
Base-Base interactions energy: -153.356
where: short stacking energy: -69.842
Base-Backbone interact. energy: -0.005
local terms energy: -68.811953
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -149.533218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.533218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.533218 (E_RNA)
where:
Base-Base interactions energy: -93.945
where: short stacking energy: -41.283
Base-Backbone interact. energy: -0.949
local terms energy: -54.638980
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -8.152
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: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -173.645655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.645655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.645655 (E_RNA)
where:
Base-Base interactions energy: -106.956
where: short stacking energy: -49.411
Base-Backbone interact. energy: -1.401
local terms energy: -65.288628
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -10.693
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: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -84.373446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.373446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.373446 (E_RNA)
where:
Base-Base interactions energy: -35.607
where: short stacking energy: -34.128
Base-Backbone interact. energy: 0.298
local terms energy: -49.063966
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -72.726799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.726799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.726799 (E_RNA)
where:
Base-Base interactions energy: -24.759
where: short stacking energy: -24.243
Base-Backbone interact. energy: -0.993
local terms energy: -46.974798
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -243.494335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.494335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.494335 (E_RNA)
where:
Base-Base interactions energy: -173.604
where: short stacking energy: -67.075
Base-Backbone interact. energy: -0.055
local terms energy: -69.834755
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -12.391
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: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -251.634070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.634070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.634070 (E_RNA)
where:
Base-Base interactions energy: -171.532
where: short stacking energy: -77.812
Base-Backbone interact. energy: -0.349
local terms energy: -79.752976
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -236.032683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.032683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.032683 (E_RNA)
where:
Base-Base interactions energy: -167.108
where: short stacking energy: -67.022
Base-Backbone interact. energy: -0.005
local terms energy: -68.919465
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -18.475
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: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -227.673058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.673058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.673058 (E_RNA)
where:
Base-Base interactions energy: -161.704
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.028
local terms energy: -65.940684
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -14.151
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: 85
Temperature: 1.100000
Total energy: -235.803333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.803333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.803333 (E_RNA)
where:
Base-Base interactions energy: -168.594
where: short stacking energy: -72.013
Base-Backbone interact. energy: -0.651
local terms energy: -66.558161
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -9.286
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: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -231.707736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.707736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.707736 (E_RNA)
where:
Base-Base interactions energy: -160.508
where: short stacking energy: -75.838
Base-Backbone interact. energy: -0.000
local terms energy: -71.200020
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -19.923
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: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -151.319068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.319068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.319068 (E_RNA)
where:
Base-Base interactions energy: -87.569
where: short stacking energy: -46.752
Base-Backbone interact. energy: -0.088
local terms energy: -63.661723
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -11.365
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: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -191.610906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.610906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.610906 (E_RNA)
where:
Base-Base interactions energy: -132.069
where: short stacking energy: -67.164
Base-Backbone interact. energy: -0.006
local terms energy: -59.536081
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -7.915
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -11.802
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: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -85.762095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.762095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.762095 (E_RNA)
where:
Base-Base interactions energy: -39.674
where: short stacking energy: -35.232
Base-Backbone interact. energy: 0.830
local terms energy: -46.918417
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -4.804
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: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -71.965595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.965595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.965595 (E_RNA)
where:
Base-Base interactions energy: -22.261
where: short stacking energy: -22.261
Base-Backbone interact. energy: -0.008
local terms energy: -49.696039
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -2.836
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: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -243.446135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.446135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.446135 (E_RNA)
where:
Base-Base interactions energy: -167.552
where: short stacking energy: -67.567
Base-Backbone interact. energy: -0.001
local terms energy: -75.892296
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -20.788
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: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -245.598586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.598586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.598586 (E_RNA)
where:
Base-Base interactions energy: -162.664
where: short stacking energy: -78.753
Base-Backbone interact. energy: -0.007
local terms energy: -82.927698
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -236.526763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.526763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.526763 (E_RNA)
where:
Base-Base interactions energy: -173.649
where: short stacking energy: -70.477
Base-Backbone interact. energy: -0.682
local terms energy: -62.195589
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -230.574946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.574946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.574946 (E_RNA)
where:
Base-Base interactions energy: -164.255
where: short stacking energy: -68.218
Base-Backbone interact. energy: -0.043
local terms energy: -66.277232
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -232.950352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.950352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.950352 (E_RNA)
where:
Base-Base interactions energy: -161.482
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.003
local terms energy: -71.466136
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -222.229858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.229858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.229858 (E_RNA)
where:
Base-Base interactions energy: -150.882
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.010
local terms energy: -71.337698
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -19.369
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: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -193.912999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.912999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.912999 (E_RNA)
where:
Base-Base interactions energy: -133.504
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.010
local terms energy: -60.398609
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -6.464
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: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -160.969745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.969745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.969745 (E_RNA)
where:
Base-Base interactions energy: -102.658
where: short stacking energy: -50.385
Base-Backbone interact. energy: -0.095
local terms energy: -58.217135
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -8.155
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -79.125885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.125885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.125885 (E_RNA)
where:
Base-Base interactions energy: -25.390
where: short stacking energy: -25.324
Base-Backbone interact. energy: -0.124
local terms energy: -53.611866
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -88.472762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.472762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.472762 (E_RNA)
where:
Base-Base interactions energy: -41.551
where: short stacking energy: -40.924
Base-Backbone interact. energy: -0.213
local terms energy: -46.708566
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -2.090
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -249.114409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.114409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.114409 (E_RNA)
where:
Base-Base interactions energy: -176.280
where: short stacking energy: -82.884
Base-Backbone interact. energy: -0.330
local terms energy: -72.504694
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -21.244
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: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -242.891991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.891991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.891991 (E_RNA)
where:
Base-Base interactions energy: -168.874
where: short stacking energy: -77.663
Base-Backbone interact. energy: -0.163
local terms energy: -73.855254
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -244.891818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.891818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.891818 (E_RNA)
where:
Base-Base interactions energy: -166.695
where: short stacking energy: -71.385
Base-Backbone interact. energy: -1.417
local terms energy: -76.779650
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -19.290
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: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -235.314158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.314158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.314158 (E_RNA)
where:
Base-Base interactions energy: -160.386
where: short stacking energy: -75.406
Base-Backbone interact. energy: -0.112
local terms energy: -74.817128
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -226.122286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.122286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.122286 (E_RNA)
where:
Base-Base interactions energy: -158.246
where: short stacking energy: -66.317
Base-Backbone interact. energy: -0.365
local terms energy: -67.510857
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -18.583
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: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -226.632617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.632617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.632617 (E_RNA)
where:
Base-Base interactions energy: -160.114
where: short stacking energy: -77.016
Base-Backbone interact. energy: -0.616
local terms energy: -65.902574
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -194.683637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.683637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.683637 (E_RNA)
where:
Base-Base interactions energy: -130.546
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.486
local terms energy: -63.652043
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -4.634
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: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -152.332105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.332105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.332105 (E_RNA)
where:
Base-Base interactions energy: -87.891
where: short stacking energy: -38.944
Base-Backbone interact. energy: -0.084
local terms energy: -64.356793
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -80.994417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.994417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.994417 (E_RNA)
where:
Base-Base interactions energy: -30.825
where: short stacking energy: -30.825
Base-Backbone interact. energy: -0.208
local terms energy: -49.960888
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -11.304
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: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -73.488743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.488743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.488743 (E_RNA)
where:
Base-Base interactions energy: -32.769
where: short stacking energy: -29.046
Base-Backbone interact. energy: -0.249
local terms energy: -40.470909
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -6.672
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -244.031710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.031710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.031710 (E_RNA)
where:
Base-Base interactions energy: -164.108
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.289
local terms energy: -79.634768
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -243.449573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.449573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.449573 (E_RNA)
where:
Base-Base interactions energy: -164.041
where: short stacking energy: -76.547
Base-Backbone interact. energy: -0.021
local terms energy: -79.387651
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -236.695773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.695773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.695773 (E_RNA)
where:
Base-Base interactions energy: -159.810
where: short stacking energy: -70.101
Base-Backbone interact. energy: -0.458
local terms energy: -76.427827
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -237.340125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.340125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.340125 (E_RNA)
where:
Base-Base interactions energy: -161.941
where: short stacking energy: -70.219
Base-Backbone interact. energy: -1.026
local terms energy: -74.373638
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -21.803
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: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -230.376135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.376135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.376135 (E_RNA)
where:
Base-Base interactions energy: -156.737
where: short stacking energy: -68.998
Base-Backbone interact. energy: -0.050
local terms energy: -73.588231
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -19.986
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: 88
Temperature: 1.150000
Total energy: -222.155936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.155936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.155936 (E_RNA)
where:
Base-Base interactions energy: -163.798
where: short stacking energy: -76.187
Base-Backbone interact. energy: -0.102
local terms energy: -58.255903
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -18.479
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: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -205.341676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.341676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.341676 (E_RNA)
where:
Base-Base interactions energy: -139.043
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.016
local terms energy: -66.281863
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -18.602
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: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -159.114154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.114154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.114154 (E_RNA)
where:
Base-Base interactions energy: -101.015
where: short stacking energy: -46.480
Base-Backbone interact. energy: -0.072
local terms energy: -58.027060
where:
bonds (distance) C4'-P energy: -7.841
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -6.932
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: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -79.784068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.784068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.784068 (E_RNA)
where:
Base-Base interactions energy: -41.065
where: short stacking energy: -34.392
Base-Backbone interact. energy: 0.545
local terms energy: -39.264901
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -92.562680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.562680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.562680 (E_RNA)
where:
Base-Base interactions energy: -54.752
where: short stacking energy: -28.643
Base-Backbone interact. energy: -1.290
local terms energy: -36.521118
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -6.251
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 5.407
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: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -241.654810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.654810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.654810 (E_RNA)
where:
Base-Base interactions energy: -160.180
where: short stacking energy: -77.339
Base-Backbone interact. energy: -0.292
local terms energy: -81.182732
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -239.443467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.443467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.443467 (E_RNA)
where:
Base-Base interactions energy: -166.696
where: short stacking energy: -70.262
Base-Backbone interact. energy: -0.078
local terms energy: -72.668935
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -16.906
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: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -237.920388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.920388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.920388 (E_RNA)
where:
Base-Base interactions energy: -162.724
where: short stacking energy: -73.184
Base-Backbone interact. energy: -0.280
local terms energy: -74.915992
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -21.026
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: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -236.094321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.094321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.094321 (E_RNA)
where:
Base-Base interactions energy: -164.424
where: short stacking energy: -74.642
Base-Backbone interact. energy: -0.109
local terms energy: -71.561363
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -224.282385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.282385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.282385 (E_RNA)
where:
Base-Base interactions energy: -154.693
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.241
local terms energy: -69.348535
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -19.089
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: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -230.761261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.761261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.761261 (E_RNA)
where:
Base-Base interactions energy: -154.381
where: short stacking energy: -74.037
Base-Backbone interact. energy: -0.282
local terms energy: -76.097998
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -21.982
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: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -205.950115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.950115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.950115 (E_RNA)
where:
Base-Base interactions energy: -143.527
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.003
local terms energy: -62.419850
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -18.169
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: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -144.999065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.999065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.999065 (E_RNA)
where:
Base-Base interactions energy: -88.325
where: short stacking energy: -44.040
Base-Backbone interact. energy: -0.461
local terms energy: -56.213745
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -82.868821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.868821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.868821 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -20.961
Base-Backbone interact. energy: -0.335
local terms energy: -43.695027
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: 1.193
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -83.613206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.613206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.613206 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -28.332
Base-Backbone interact. energy: -0.317
local terms energy: -53.688153
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -244.820650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.820650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.820650 (E_RNA)
where:
Base-Base interactions energy: -167.340
where: short stacking energy: -78.588
Base-Backbone interact. energy: -0.042
local terms energy: -77.438440
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -245.291451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.291451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.291451 (E_RNA)
where:
Base-Base interactions energy: -168.955
where: short stacking energy: -80.965
Base-Backbone interact. energy: -0.002
local terms energy: -76.334933
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -20.007
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: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -243.160811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.160811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.160811 (E_RNA)
where:
Base-Base interactions energy: -169.026
where: short stacking energy: -72.926
Base-Backbone interact. energy: -0.001
local terms energy: -74.134688
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -21.206
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: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -233.141653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.141653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.141653 (E_RNA)
where:
Base-Base interactions energy: -162.346
where: short stacking energy: -77.727
Base-Backbone interact. energy: -0.200
local terms energy: -70.595954
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -9.712
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: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -232.703416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.703416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.703416 (E_RNA)
where:
Base-Base interactions energy: -157.483
where: short stacking energy: -74.431
Base-Backbone interact. energy: -0.111
local terms energy: -75.109549
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -21.204
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: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -224.961284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.961284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.961284 (E_RNA)
where:
Base-Base interactions energy: -156.609
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.748
local terms energy: -67.604541
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -194.734577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.734577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.734577 (E_RNA)
where:
Base-Base interactions energy: -125.989
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.011
local terms energy: -68.734140
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -75.817439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.817439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.817439 (E_RNA)
where:
Base-Base interactions energy: -30.419
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.054
local terms energy: -45.344804
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -103.424587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.424587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.424587 (E_RNA)
where:
Base-Base interactions energy: -55.885
where: short stacking energy: -32.602
Base-Backbone interact. energy: -0.072
local terms energy: -47.467501
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -2.003
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: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -78.099917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.099917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.099917 (E_RNA)
where:
Base-Base interactions energy: -26.455
where: short stacking energy: -26.378
Base-Backbone interact. energy: -0.151
local terms energy: -51.494077
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -249.850586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.850586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.850586 (E_RNA)
where:
Base-Base interactions energy: -170.648
where: short stacking energy: -82.301
Base-Backbone interact. energy: -0.519
local terms energy: -78.683825
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -242.138361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.138361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.138361 (E_RNA)
where:
Base-Base interactions energy: -163.381
where: short stacking energy: -71.716
Base-Backbone interact. energy: -1.961
local terms energy: -76.796181
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -20.803
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: 91
Temperature: 1.000000
Total energy: -247.585320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.585320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.585320 (E_RNA)
where:
Base-Base interactions energy: -164.897
where: short stacking energy: -78.705
Base-Backbone interact. energy: -0.008
local terms energy: -82.680455
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -22.743
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: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -232.727584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.727584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.727584 (E_RNA)
where:
Base-Base interactions energy: -161.062
where: short stacking energy: -75.211
Base-Backbone interact. energy: -0.025
local terms energy: -71.640674
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -231.330659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.330659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.330659 (E_RNA)
where:
Base-Base interactions energy: -160.443
where: short stacking energy: -66.483
Base-Backbone interact. energy: -0.241
local terms energy: -70.647140
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -204.694961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.694961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.694961 (E_RNA)
where:
Base-Base interactions energy: -137.994
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.016
local terms energy: -66.685222
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -17.183
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: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -227.286650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.286650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.286650 (E_RNA)
where:
Base-Base interactions energy: -167.046
where: short stacking energy: -59.905
Base-Backbone interact. energy: 0.321
local terms energy: -60.561503
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -112.827279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.827279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.827279 (E_RNA)
where:
Base-Base interactions energy: -63.677
where: short stacking energy: -31.151
Base-Backbone interact. energy: 1.925
local terms energy: -51.075698
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -84.315930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.315930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.315930 (E_RNA)
where:
Base-Base interactions energy: -36.223
where: short stacking energy: -35.930
Base-Backbone interact. energy: -0.093
local terms energy: -48.000121
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -83.824219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.824219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.824219 (E_RNA)
where:
Base-Base interactions energy: -34.707
where: short stacking energy: -34.385
Base-Backbone interact. energy: -0.095
local terms energy: -49.022044
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -249.941344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.941344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.941344 (E_RNA)
where:
Base-Base interactions energy: -169.837
where: short stacking energy: -78.678
Base-Backbone interact. energy: -0.012
local terms energy: -80.092253
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -240.676970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.676970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.676970 (E_RNA)
where:
Base-Base interactions energy: -166.290
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.386
local terms energy: -74.001216
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -240.818709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.818709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.818709 (E_RNA)
where:
Base-Base interactions energy: -169.882
where: short stacking energy: -76.924
Base-Backbone interact. energy: -0.043
local terms energy: -70.894053
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -17.925
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: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -233.443514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.443514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.443514 (E_RNA)
where:
Base-Base interactions energy: -157.930
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.023
local terms energy: -75.490411
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -231.857823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.857823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.857823 (E_RNA)
where:
Base-Base interactions energy: -155.542
where: short stacking energy: -73.410
Base-Backbone interact. energy: -0.007
local terms energy: -76.308843
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -206.124259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.124259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.124259 (E_RNA)
where:
Base-Base interactions energy: -138.158
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.009
local terms energy: -67.957022
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -205.400514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.400514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.400514 (E_RNA)
where:
Base-Base interactions energy: -135.904
where: short stacking energy: -54.210
Base-Backbone interact. energy: -1.690
local terms energy: -67.806635
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -14.602
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: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -169.032774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.032774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.032774 (E_RNA)
where:
Base-Base interactions energy: -110.993
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.105
local terms energy: -57.934329
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -6.386
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: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -78.202265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.202265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.202265 (E_RNA)
where:
Base-Base interactions energy: -34.609
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.282
local terms energy: -43.311448
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -7.543
flat angles P-C4'-P energy: -9.589
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: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -87.687424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.687424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.687424 (E_RNA)
where:
Base-Base interactions energy: -33.040
where: short stacking energy: -33.040
Base-Backbone interact. energy: -0.057
local terms energy: -54.590109
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -247.633253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.633253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.633253 (E_RNA)
where:
Base-Base interactions energy: -169.995
where: short stacking energy: -80.665
Base-Backbone interact. energy: -0.645
local terms energy: -76.992958
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -242.410980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.410980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.410980 (E_RNA)
where:
Base-Base interactions energy: -169.405
where: short stacking energy: -78.452
Base-Backbone interact. energy: -0.061
local terms energy: -72.944941
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -236.613121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.613121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.613121 (E_RNA)
where:
Base-Base interactions energy: -174.601
where: short stacking energy: -78.827
Base-Backbone interact. energy: -0.280
local terms energy: -61.732395
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -6.999
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -18.086
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: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -232.911594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.911594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.911594 (E_RNA)
where:
Base-Base interactions energy: -168.302
where: short stacking energy: -77.664
Base-Backbone interact. energy: -0.001
local terms energy: -64.608471
where:
bonds (distance) C4'-P energy: -6.831
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -18.019
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: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -229.799153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.799153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.799153 (E_RNA)
where:
Base-Base interactions energy: -160.320
where: short stacking energy: -76.518
Base-Backbone interact. energy: -0.062
local terms energy: -69.417450
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -19.065
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: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -204.007721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.007721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.007721 (E_RNA)
where:
Base-Base interactions energy: -140.400
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.018
local terms energy: -63.589910
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -9.831
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: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -213.025598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.025598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.025598 (E_RNA)
where:
Base-Base interactions energy: -151.052
where: short stacking energy: -63.173
Base-Backbone interact. energy: -0.254
local terms energy: -61.720172
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -170.772011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.772011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.772011 (E_RNA)
where:
Base-Base interactions energy: -120.750
where: short stacking energy: -38.709
Base-Backbone interact. energy: -0.732
local terms energy: -49.289780
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -5.096
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: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -86.347311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.347311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.347311 (E_RNA)
where:
Base-Base interactions energy: -33.365
where: short stacking energy: -32.982
Base-Backbone interact. energy: 0.223
local terms energy: -53.205663
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -74.164066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.164066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.164066 (E_RNA)
where:
Base-Base interactions energy: -28.565
where: short stacking energy: -14.172
Base-Backbone interact. energy: -0.097
local terms energy: -45.501871
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: 1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -247.119918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.119918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.119918 (E_RNA)
where:
Base-Base interactions energy: -171.664
where: short stacking energy: -76.753
Base-Backbone interact. energy: -0.001
local terms energy: -75.455500
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -240.936378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.936378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.936378 (E_RNA)
where:
Base-Base interactions energy: -166.274
where: short stacking energy: -72.258
Base-Backbone interact. energy: -0.691
local terms energy: -73.971211
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -232.938394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.938394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.938394 (E_RNA)
where:
Base-Base interactions energy: -157.287
where: short stacking energy: -76.558
Base-Backbone interact. energy: -0.049
local terms energy: -75.602362
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -19.596
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: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -236.017448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.017448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.017448 (E_RNA)
where:
Base-Base interactions energy: -162.803
where: short stacking energy: -72.989
Base-Backbone interact. energy: -0.000
local terms energy: -73.214063
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -226.195587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.195587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.195587 (E_RNA)
where:
Base-Base interactions energy: -161.043
where: short stacking energy: -67.803
Base-Backbone interact. energy: -0.454
local terms energy: -64.698647
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -199.063364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.063364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.063364 (E_RNA)
where:
Base-Base interactions energy: -129.295
where: short stacking energy: -63.925
Base-Backbone interact. energy: -0.047
local terms energy: -69.720682
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -13.098
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: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -223.792090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.792090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.792090 (E_RNA)
where:
Base-Base interactions energy: -164.050
where: short stacking energy: -67.211
Base-Backbone interact. energy: 0.615
local terms energy: -60.357407
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -5.787
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -16.977
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: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -185.384416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.384416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.384416 (E_RNA)
where:
Base-Base interactions energy: -121.597
where: short stacking energy: -59.471
Base-Backbone interact. energy: -0.023
local terms energy: -63.764192
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -97.834992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.834992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.834992 (E_RNA)
where:
Base-Base interactions energy: -65.037
where: short stacking energy: -36.999
Base-Backbone interact. energy: 0.093
local terms energy: -32.890833
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -4.285
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -3.630
tors. eta vs tors. theta energy: -1.320
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: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -85.952167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.952167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.952167 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -29.817
Base-Backbone interact. energy: -0.475
local terms energy: -55.660535
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -241.112698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.112698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.112698 (E_RNA)
where:
Base-Base interactions energy: -165.299
where: short stacking energy: -75.555
Base-Backbone interact. energy: -0.044
local terms energy: -75.770218
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -238.133361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.133361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.133361 (E_RNA)
where:
Base-Base interactions energy: -168.247
where: short stacking energy: -71.743
Base-Backbone interact. energy: -0.002
local terms energy: -69.884001
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -11.301
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: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -240.303079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.303079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.303079 (E_RNA)
where:
Base-Base interactions energy: -164.834
where: short stacking energy: -73.033
Base-Backbone interact. energy: -0.758
local terms energy: -74.711544
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -20.059
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: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -229.299528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.299528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.299528 (E_RNA)
where:
Base-Base interactions energy: -162.937
where: short stacking energy: -72.137
Base-Backbone interact. energy: -0.013
local terms energy: -66.350281
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -228.930605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.930605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.930605 (E_RNA)
where:
Base-Base interactions energy: -154.988
where: short stacking energy: -72.948
Base-Backbone interact. energy: -0.170
local terms energy: -73.772253
where:
bonds (distance) C4'-P energy: -8.722
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -222.395189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.395189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.395189 (E_RNA)
where:
Base-Base interactions energy: -161.089
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.004
local terms energy: -61.302631
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -6.030
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -17.566
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: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -203.424188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.424188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.424188 (E_RNA)
where:
Base-Base interactions energy: -142.299
where: short stacking energy: -56.503
Base-Backbone interact. energy: -0.103
local terms energy: -61.021892
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -179.928902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.928902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.928902 (E_RNA)
where:
Base-Base interactions energy: -118.766
where: short stacking energy: -51.307
Base-Backbone interact. energy: -1.022
local terms energy: -60.140957
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -9.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -123.140218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.140218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.140218 (E_RNA)
where:
Base-Base interactions energy: -66.545
where: short stacking energy: -42.329
Base-Backbone interact. energy: -0.003
local terms energy: -56.591826
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -9.237
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: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -79.859482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.859482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.859482 (E_RNA)
where:
Base-Base interactions energy: -39.255
where: short stacking energy: -37.554
Base-Backbone interact. energy: -0.098
local terms energy: -40.506224
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -7.323
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -4.509
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: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -241.302901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.302901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.302901 (E_RNA)
where:
Base-Base interactions energy: -164.856
where: short stacking energy: -75.145
Base-Backbone interact. energy: -0.038
local terms energy: -76.408664
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -241.687926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.687926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.687926 (E_RNA)
where:
Base-Base interactions energy: -169.038
where: short stacking energy: -75.820
Base-Backbone interact. energy: -0.009
local terms energy: -72.641015
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -235.702989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.702989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.702989 (E_RNA)
where:
Base-Base interactions energy: -159.885
where: short stacking energy: -75.687
Base-Backbone interact. energy: -0.111
local terms energy: -75.706947
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -226.651810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.651810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.651810 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -67.170
Base-Backbone interact. energy: -0.715
local terms energy: -69.189325
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -229.189413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.189413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.189413 (E_RNA)
where:
Base-Base interactions energy: -155.994
where: short stacking energy: -77.693
Base-Backbone interact. energy: -0.049
local terms energy: -73.146283
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -229.262076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.262076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.262076 (E_RNA)
where:
Base-Base interactions energy: -163.987
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.885
local terms energy: -64.390656
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -12.353
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: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -186.843835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.843835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.843835 (E_RNA)
where:
Base-Base interactions energy: -134.549
where: short stacking energy: -54.521
Base-Backbone interact. energy: -0.938
local terms energy: -51.356931
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -8.358
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -11.644
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: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -165.862902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.862902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.862902 (E_RNA)
where:
Base-Base interactions energy: -109.879
where: short stacking energy: -45.331
Base-Backbone interact. energy: -0.014
local terms energy: -55.969049
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -86.560896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.560896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.560896 (E_RNA)
where:
Base-Base interactions energy: -40.829
where: short stacking energy: -40.829
Base-Backbone interact. energy: -1.222
local terms energy: -44.509337
where:
bonds (distance) C4'-P energy: -6.303
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -83.016087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.016087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.016087 (E_RNA)
where:
Base-Base interactions energy: -37.493
where: short stacking energy: -32.511
Base-Backbone interact. energy: -0.133
local terms energy: -45.390784
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -3.725
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -244.095135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.095135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.095135 (E_RNA)
where:
Base-Base interactions energy: -165.651
where: short stacking energy: -80.534
Base-Backbone interact. energy: -0.068
local terms energy: -78.376716
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -236.753248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.753248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.753248 (E_RNA)
where:
Base-Base interactions energy: -161.468
where: short stacking energy: -77.670
Base-Backbone interact. energy: -0.002
local terms energy: -75.283373
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -18.606
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: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -238.083021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.083021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.083021 (E_RNA)
where:
Base-Base interactions energy: -161.805
where: short stacking energy: -71.864
Base-Backbone interact. energy: -2.017
local terms energy: -74.261792
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -20.145
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: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -237.382525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.382525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.382525 (E_RNA)
where:
Base-Base interactions energy: -162.580
where: short stacking energy: -75.782
Base-Backbone interact. energy: -0.416
local terms energy: -74.386411
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.992
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: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -234.828232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.828232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.828232 (E_RNA)
where:
Base-Base interactions energy: -163.846
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.001
local terms energy: -70.981675
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -204.688837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.688837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.688837 (E_RNA)
where:
Base-Base interactions energy: -133.976
where: short stacking energy: -66.227
Base-Backbone interact. energy: -0.001
local terms energy: -70.712466
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -222.012756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.012756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.012756 (E_RNA)
where:
Base-Base interactions energy: -149.317
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.081
local terms energy: -72.614056
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -16.088
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: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -140.480864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.480864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.480864 (E_RNA)
where:
Base-Base interactions energy: -82.414
where: short stacking energy: -41.960
Base-Backbone interact. energy: 0.079
local terms energy: -58.145266
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -79.900901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.900901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.900901 (E_RNA)
where:
Base-Base interactions energy: -39.768
where: short stacking energy: -28.740
Base-Backbone interact. energy: -0.273
local terms energy: -39.859875
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -80.719770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.719770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.719770 (E_RNA)
where:
Base-Base interactions energy: -38.520
where: short stacking energy: -37.394
Base-Backbone interact. energy: -0.172
local terms energy: -42.027979
where:
bonds (distance) C4'-P energy: -7.124
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -1.952
tors. eta vs tors. theta energy: -6.112
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: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -246.286136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.286136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.286136 (E_RNA)
where:
Base-Base interactions energy: -168.622
where: short stacking energy: -78.830
Base-Backbone interact. energy: -0.000
local terms energy: -77.664541
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -239.480869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.480869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.480869 (E_RNA)
where:
Base-Base interactions energy: -164.082
where: short stacking energy: -70.720
Base-Backbone interact. energy: 1.437
local terms energy: -76.835646
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -18.214
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: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -238.600564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.600564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.600564 (E_RNA)
where:
Base-Base interactions energy: -170.625
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.057
local terms energy: -67.919089
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -229.262062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.262062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.262062 (E_RNA)
where:
Base-Base interactions energy: -159.999
where: short stacking energy: -72.737
Base-Backbone interact. energy: -0.253
local terms energy: -69.010112
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -211.712923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.712923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.712923 (E_RNA)
where:
Base-Base interactions energy: -138.473
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.035
local terms energy: -73.204601
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -17.395
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: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -228.212626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.212626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.212626 (E_RNA)
where:
Base-Base interactions energy: -166.342
where: short stacking energy: -61.301
Base-Backbone interact. energy: -0.316
local terms energy: -61.554609
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -17.886
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: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -209.071916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.071916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.071916 (E_RNA)
where:
Base-Base interactions energy: -144.825
where: short stacking energy: -56.416
Base-Backbone interact. energy: -0.140
local terms energy: -64.106345
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -187.716415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.716415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.716415 (E_RNA)
where:
Base-Base interactions energy: -124.160
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.433
local terms energy: -63.122934
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -80.747413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.747413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.747413 (E_RNA)
where:
Base-Base interactions energy: -41.285
where: short stacking energy: -11.057
Base-Backbone interact. energy: -0.076
local terms energy: -39.386479
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: 5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -82.964761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964761 (E_RNA)
where:
Base-Base interactions energy: -33.490
where: short stacking energy: -33.490
Base-Backbone interact. energy: -0.699
local terms energy: -48.775775
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -7.197
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: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -248.010294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.010294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.010294 (E_RNA)
where:
Base-Base interactions energy: -170.901
where: short stacking energy: -73.982
Base-Backbone interact. energy: -0.677
local terms energy: -76.431886
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -247.565079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.565079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.565079 (E_RNA)
where:
Base-Base interactions energy: -169.448
where: short stacking energy: -75.882
Base-Backbone interact. energy: -2.307
local terms energy: -75.809278
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -22.046
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: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -238.341635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.341635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.341635 (E_RNA)
where:
Base-Base interactions energy: -170.188
where: short stacking energy: -72.999
Base-Backbone interact. energy: -0.005
local terms energy: -68.148273
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -234.614852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.614852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.614852 (E_RNA)
where:
Base-Base interactions energy: -154.404
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.002
local terms energy: -80.208789
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -23.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -219.848972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.848972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.848972 (E_RNA)
where:
Base-Base interactions energy: -152.327
where: short stacking energy: -66.295
Base-Backbone interact. energy: -0.054
local terms energy: -67.468278
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -17.115
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: 99
Temperature: 1.150000
Total energy: -220.125936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.125936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.125936 (E_RNA)
where:
Base-Base interactions energy: -152.207
where: short stacking energy: -63.124
Base-Backbone interact. energy: -1.240
local terms energy: -66.678926
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -221.201088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.201088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.201088 (E_RNA)
where:
Base-Base interactions energy: -149.587
where: short stacking energy: -59.752
Base-Backbone interact. energy: 0.747
local terms energy: -72.361053
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -13.160
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: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -181.863024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.863024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.863024 (E_RNA)
where:
Base-Base interactions energy: -119.079
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.022
local terms energy: -62.761959
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -12.140
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: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -105.825424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.825424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.825424 (E_RNA)
where:
Base-Base interactions energy: -54.139
where: short stacking energy: -44.533
Base-Backbone interact. energy: -0.159
local terms energy: -51.527471
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -97.066270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.066270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.066270 (E_RNA)
where:
Base-Base interactions energy: -44.257
where: short stacking energy: -42.497
Base-Backbone interact. energy: -0.034
local terms energy: -52.775544
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -241.722939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.722939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.722939 (E_RNA)
where:
Base-Base interactions energy: -167.356
where: short stacking energy: -75.605
Base-Backbone interact. energy: -0.101
local terms energy: -74.265956
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -19.232
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: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -239.321712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.321712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.321712 (E_RNA)
where:
Base-Base interactions energy: -170.001
where: short stacking energy: -72.520
Base-Backbone interact. energy: -0.596
local terms energy: -68.724077
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -10.967
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: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -245.978847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.978847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.978847 (E_RNA)
where:
Base-Base interactions energy: -171.605
where: short stacking energy: -67.647
Base-Backbone interact. energy: -0.004
local terms energy: -74.369095
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -238.259417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.259417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.259417 (E_RNA)
where:
Base-Base interactions energy: -159.693
where: short stacking energy: -71.237
Base-Backbone interact. energy: -0.589
local terms energy: -77.977375
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -21.530
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: 100
Temperature: 1.100000
Total energy: -230.557276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.557276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.557276 (E_RNA)
where:
Base-Base interactions energy: -161.645
where: short stacking energy: -75.569
Base-Backbone interact. energy: -0.006
local terms energy: -68.906987
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -198.591827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.591827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.591827 (E_RNA)
where:
Base-Base interactions energy: -129.253
where: short stacking energy: -58.065
Base-Backbone interact. energy: -1.447
local terms energy: -67.892069
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -215.118865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.118865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.118865 (E_RNA)
where:
Base-Base interactions energy: -148.711
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.013
local terms energy: -66.394781
where:
bonds (distance) C4'-P energy: -7.132
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -19.602
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: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -134.361918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.361918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.361918 (E_RNA)
where:
Base-Base interactions energy: -81.828
where: short stacking energy: -42.693
Base-Backbone interact. energy: -0.103
local terms energy: -52.430414
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -8.471
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -8.013
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: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -83.019988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.019988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.019988 (E_RNA)
where:
Base-Base interactions energy: -30.001
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.023
local terms energy: -52.995669
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -9.354
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: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -80.138501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.138501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.138501 (E_RNA)
where:
Base-Base interactions energy: -39.792
where: short stacking energy: -24.992
Base-Backbone interact. energy: -0.309
local terms energy: -40.037420
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -7.289
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -244.639374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.639374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.639374 (E_RNA)
where:
Base-Base interactions energy: -167.656
where: short stacking energy: -80.643
Base-Backbone interact. energy: -0.042
local terms energy: -76.941455
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -20.260
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: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -230.896935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.896935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.896935 (E_RNA)
where:
Base-Base interactions energy: -158.056
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.589
local terms energy: -72.251809
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -236.531895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.531895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.531895 (E_RNA)
where:
Base-Base interactions energy: -165.077
where: short stacking energy: -70.507
Base-Backbone interact. energy: -0.046
local terms energy: -71.408905
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -10.797
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: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -239.587156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.587156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.587156 (E_RNA)
where:
Base-Base interactions energy: -166.966
where: short stacking energy: -78.229
Base-Backbone interact. energy: -0.494
local terms energy: -72.126599
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -223.389165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.389165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.389165 (E_RNA)
where:
Base-Base interactions energy: -162.036
where: short stacking energy: -71.907
Base-Backbone interact. energy: -0.326
local terms energy: -61.026776
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -214.127626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.127626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.127626 (E_RNA)
where:
Base-Base interactions energy: -144.432
where: short stacking energy: -62.026
Base-Backbone interact. energy: -0.655
local terms energy: -69.040727
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -196.494648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.494648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.494648 (E_RNA)
where:
Base-Base interactions energy: -129.329
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.601
local terms energy: -66.564891
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -10.100
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: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -137.886619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.886619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.886619 (E_RNA)
where:
Base-Base interactions energy: -89.519
where: short stacking energy: -35.894
Base-Backbone interact. energy: -0.255
local terms energy: -48.112773
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -82.265457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.265457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.265457 (E_RNA)
where:
Base-Base interactions energy: -33.301
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.547
local terms energy: -48.417862
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: 1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -70.113525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.113525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.113525 (E_RNA)
where:
Base-Base interactions energy: -31.092
where: short stacking energy: -31.092
Base-Backbone interact. energy: -0.528
local terms energy: -38.493549
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -7.947
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: 1.460
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: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -245.328214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.328214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.328214 (E_RNA)
where:
Base-Base interactions energy: -167.081
where: short stacking energy: -72.060
Base-Backbone interact. energy: -1.299
local terms energy: -76.948770
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -243.034458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.034458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.034458 (E_RNA)
where:
Base-Base interactions energy: -166.647
where: short stacking energy: -72.732
Base-Backbone interact. energy: -0.065
local terms energy: -76.322645
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -234.212338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.212338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.212338 (E_RNA)
where:
Base-Base interactions energy: -165.488
where: short stacking energy: -79.589
Base-Backbone interact. energy: -0.066
local terms energy: -68.658010
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -20.790
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: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -234.714760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.714760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.714760 (E_RNA)
where:
Base-Base interactions energy: -161.323
where: short stacking energy: -68.267
Base-Backbone interact. energy: -1.134
local terms energy: -72.257668
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -229.961391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.961391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.961391 (E_RNA)
where:
Base-Base interactions energy: -164.046
where: short stacking energy: -77.676
Base-Backbone interact. energy: -0.250
local terms energy: -65.665644
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -232.327244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.327244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.327244 (E_RNA)
where:
Base-Base interactions energy: -153.593
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.122
local terms energy: -78.612889
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -204.274321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.274321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.274321 (E_RNA)
where:
Base-Base interactions energy: -141.565
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.652
local terms energy: -62.057152
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -171.140632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.140632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.140632 (E_RNA)
where:
Base-Base interactions energy: -112.135
where: short stacking energy: -49.859
Base-Backbone interact. energy: -0.318
local terms energy: -58.687280
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -7.175
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -12.966
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: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -85.660190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.660190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.660190 (E_RNA)
where:
Base-Base interactions energy: -38.798
where: short stacking energy: -38.798
Base-Backbone interact. energy: -0.006
local terms energy: -46.855572
where:
bonds (distance) C4'-P energy: -8.510
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -1.216
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -73.765528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.765528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.765528 (E_RNA)
where:
Base-Base interactions energy: -29.767
where: short stacking energy: -29.767
Base-Backbone interact. energy: -0.145
local terms energy: -43.853204
where:
bonds (distance) C4'-P energy: -8.287
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -4.900
tors. eta vs tors. theta energy: -5.350
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: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -251.172997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.172997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.172997 (E_RNA)
where:
Base-Base interactions energy: -171.644
where: short stacking energy: -81.407
Base-Backbone interact. energy: -0.002
local terms energy: -79.527013
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -243.990294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.990294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.990294 (E_RNA)
where:
Base-Base interactions energy: -176.802
where: short stacking energy: -71.618
Base-Backbone interact. energy: -0.255
local terms energy: -66.933308
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -233.375572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.375572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.375572 (E_RNA)
where:
Base-Base interactions energy: -162.189
where: short stacking energy: -73.825
Base-Backbone interact. energy: -1.332
local terms energy: -69.855207
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -233.689826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.689826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.689826 (E_RNA)
where:
Base-Base interactions energy: -163.360
where: short stacking energy: -71.869
Base-Backbone interact. energy: 0.684
local terms energy: -71.013500
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -11.250
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: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -219.526806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.526806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.526806 (E_RNA)
where:
Base-Base interactions energy: -153.258
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.192
local terms energy: -66.076963
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -10.634
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: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -225.833652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.833652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.833652 (E_RNA)
where:
Base-Base interactions energy: -161.391
where: short stacking energy: -76.476
Base-Backbone interact. energy: -0.003
local terms energy: -64.439540
where:
bonds (distance) C4'-P energy: -8.018
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -192.078469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.078469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.078469 (E_RNA)
where:
Base-Base interactions energy: -126.500
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.648
local terms energy: -64.930782
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -18.250
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: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -174.853071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.853071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.853071 (E_RNA)
where:
Base-Base interactions energy: -116.102
where: short stacking energy: -50.248
Base-Backbone interact. energy: -0.003
local terms energy: -58.748413
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -10.972
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -117.403361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.403361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.403361 (E_RNA)
where:
Base-Base interactions energy: -68.772
where: short stacking energy: -39.444
Base-Backbone interact. energy: -0.326
local terms energy: -48.305483
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -10.020
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: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -85.941514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.941514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.941514 (E_RNA)
where:
Base-Base interactions energy: -38.106
where: short stacking energy: -29.470
Base-Backbone interact. energy: -0.289
local terms energy: -47.547114
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -252.260592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.260592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.260592 (E_RNA)
where:
Base-Base interactions energy: -174.187
where: short stacking energy: -82.438
Base-Backbone interact. energy: 1.412
local terms energy: -79.486100
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -21.429
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: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -242.096689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.096689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.096689 (E_RNA)
where:
Base-Base interactions energy: -168.237
where: short stacking energy: -74.136
Base-Backbone interact. energy: -0.289
local terms energy: -73.571043
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -243.657119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.657119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.657119 (E_RNA)
where:
Base-Base interactions energy: -166.608
where: short stacking energy: -74.947
Base-Backbone interact. energy: -0.259
local terms energy: -76.790567
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -22.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -234.555820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.555820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.555820 (E_RNA)
where:
Base-Base interactions energy: -157.309
where: short stacking energy: -72.924
Base-Backbone interact. energy: -0.000
local terms energy: -77.247128
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -230.772158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.772158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.772158 (E_RNA)
where:
Base-Base interactions energy: -160.722
where: short stacking energy: -74.137
Base-Backbone interact. energy: -0.088
local terms energy: -69.962777
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -236.129564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.129564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.129564 (E_RNA)
where:
Base-Base interactions energy: -163.071
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.028
local terms energy: -73.030652
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -21.442
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: 104
Temperature: 1.200000
Total energy: -183.672509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.672509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.672509 (E_RNA)
where:
Base-Base interactions energy: -122.174
where: short stacking energy: -46.416
Base-Backbone interact. energy: 0.403
local terms energy: -61.901862
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -180.791464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.791464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.791464 (E_RNA)
where:
Base-Base interactions energy: -114.223
where: short stacking energy: -51.250
Base-Backbone interact. energy: 1.300
local terms energy: -67.868811
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -82.798331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798331 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -22.779
Base-Backbone interact. energy: -0.248
local terms energy: -50.687878
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.934
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: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -76.865584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.865584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.865584 (E_RNA)
where:
Base-Base interactions energy: -30.433
where: short stacking energy: -28.226
Base-Backbone interact. energy: -0.398
local terms energy: -46.034237
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -1.246
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: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -249.823279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.823279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.823279 (E_RNA)
where:
Base-Base interactions energy: -168.597
where: short stacking energy: -79.243
Base-Backbone interact. energy: -2.148
local terms energy: -79.078686
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -241.552663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.552663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.552663 (E_RNA)
where:
Base-Base interactions energy: -166.434
where: short stacking energy: -66.551
Base-Backbone interact. energy: -0.002
local terms energy: -75.117497
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -241.067958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.067958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.067958 (E_RNA)
where:
Base-Base interactions energy: -163.758
where: short stacking energy: -75.313
Base-Backbone interact. energy: -0.232
local terms energy: -77.078469
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -231.830316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.830316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.830316 (E_RNA)
where:
Base-Base interactions energy: -163.380
where: short stacking energy: -66.101
Base-Backbone interact. energy: -0.144
local terms energy: -68.306414
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -20.554
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: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -228.638290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.638290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.638290 (E_RNA)
where:
Base-Base interactions energy: -154.958
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.334
local terms energy: -73.346538
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -235.237955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.237955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.237955 (E_RNA)
where:
Base-Base interactions energy: -159.555
where: short stacking energy: -74.334
Base-Backbone interact. energy: -0.541
local terms energy: -75.142743
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -172.488706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.488706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.488706 (E_RNA)
where:
Base-Base interactions energy: -110.085
where: short stacking energy: -53.335
Base-Backbone interact. energy: -0.027
local terms energy: -62.377225
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -9.507
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: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -182.302286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.302286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.302286 (E_RNA)
where:
Base-Base interactions energy: -117.713
where: short stacking energy: -54.158
Base-Backbone interact. energy: -0.960
local terms energy: -63.628599
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -83.645664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.645664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.645664 (E_RNA)
where:
Base-Base interactions energy: -37.470
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.099
local terms energy: -46.076943
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -7.957
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -83.493159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.493159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.493159 (E_RNA)
where:
Base-Base interactions energy: -30.939
where: short stacking energy: -30.939
Base-Backbone interact. energy: -0.016
local terms energy: -52.538354
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -6.021
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: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -252.093165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.093165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.093165 (E_RNA)
where:
Base-Base interactions energy: -170.530
where: short stacking energy: -80.704
Base-Backbone interact. energy: -0.651
local terms energy: -80.911490
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -21.095
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: 106
Temperature: 0.950000
Total energy: -242.495552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.495552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.495552 (E_RNA)
where:
Base-Base interactions energy: -167.140
where: short stacking energy: -72.826
Base-Backbone interact. energy: -0.002
local terms energy: -75.353011
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -239.569684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.569684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.569684 (E_RNA)
where:
Base-Base interactions energy: -159.454
where: short stacking energy: -70.055
Base-Backbone interact. energy: -1.244
local terms energy: -78.870855
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -21.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -234.022882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.022882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.022882 (E_RNA)
where:
Base-Base interactions energy: -158.578
where: short stacking energy: -70.874
Base-Backbone interact. energy: -0.052
local terms energy: -75.392917
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -231.966492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.966492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.966492 (E_RNA)
where:
Base-Base interactions energy: -162.720
where: short stacking energy: -72.085
Base-Backbone interact. energy: -0.479
local terms energy: -68.766915
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -226.484918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.484918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.484918 (E_RNA)
where:
Base-Base interactions energy: -159.239
where: short stacking energy: -75.078
Base-Backbone interact. energy: 0.938
local terms energy: -68.183931
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.924
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: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -209.627231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.627231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.627231 (E_RNA)
where:
Base-Base interactions energy: -141.421
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.012
local terms energy: -68.193921
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -16.913
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: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -176.336470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.336470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.336470 (E_RNA)
where:
Base-Base interactions energy: -126.618
where: short stacking energy: -54.559
Base-Backbone interact. energy: -0.100
local terms energy: -49.618121
where:
bonds (distance) C4'-P energy: -7.490
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -73.189130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.189130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.189130 (E_RNA)
where:
Base-Base interactions energy: -30.702
where: short stacking energy: -23.845
Base-Backbone interact. energy: -0.290
local terms energy: -42.197339
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -6.633
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -72.109384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.109384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.109384 (E_RNA)
where:
Base-Base interactions energy: -32.081
where: short stacking energy: -24.086
Base-Backbone interact. energy: -1.176
local terms energy: -38.852499
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -0.585
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: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -246.742362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.742362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.742362 (E_RNA)
where:
Base-Base interactions energy: -170.836
where: short stacking energy: -76.083
Base-Backbone interact. energy: -0.122
local terms energy: -75.784027
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -21.542
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: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -243.246381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.246381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.246381 (E_RNA)
where:
Base-Base interactions energy: -171.844
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.002
local terms energy: -71.400534
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -21.666
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: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -242.840891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.840891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.840891 (E_RNA)
where:
Base-Base interactions energy: -171.993
where: short stacking energy: -71.863
Base-Backbone interact. energy: -0.149
local terms energy: -70.699091
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -19.924
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: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -235.144149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.144149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.144149 (E_RNA)
where:
Base-Base interactions energy: -158.105
where: short stacking energy: -71.837
Base-Backbone interact. energy: -0.378
local terms energy: -76.661744
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -222.179378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.179378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.179378 (E_RNA)
where:
Base-Base interactions energy: -158.801
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.889
local terms energy: -62.488778
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -10.593
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: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -213.852658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.852658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.852658 (E_RNA)
where:
Base-Base interactions energy: -143.619
where: short stacking energy: -68.375
Base-Backbone interact. energy: -0.016
local terms energy: -70.217221
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -221.333466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.333466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.333466 (E_RNA)
where:
Base-Base interactions energy: -155.296
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.022
local terms energy: -66.015161
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -19.508
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: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -174.712515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.712515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.712515 (E_RNA)
where:
Base-Base interactions energy: -120.387
where: short stacking energy: -41.268
Base-Backbone interact. energy: -0.394
local terms energy: -53.931179
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -83.750952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.750952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.750952 (E_RNA)
where:
Base-Base interactions energy: -31.824
where: short stacking energy: -31.824
Base-Backbone interact. energy: 0.036
local terms energy: -51.962683
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -77.600840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.600840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.600840 (E_RNA)
where:
Base-Base interactions energy: -37.166
where: short stacking energy: -37.166
Base-Backbone interact. energy: 1.682
local terms energy: -42.117118
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -6.659
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -249.560722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.560722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.560722 (E_RNA)
where:
Base-Base interactions energy: -169.675
where: short stacking energy: -79.160
Base-Backbone interact. energy: -0.002
local terms energy: -79.883454
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -20.157
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: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -244.611016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.611016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.611016 (E_RNA)
where:
Base-Base interactions energy: -168.306
where: short stacking energy: -78.305
Base-Backbone interact. energy: -0.001
local terms energy: -76.304719
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -236.928854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.928854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.928854 (E_RNA)
where:
Base-Base interactions energy: -163.738
where: short stacking energy: -67.814
Base-Backbone interact. energy: -0.549
local terms energy: -72.642208
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -228.397900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.397900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.397900 (E_RNA)
where:
Base-Base interactions energy: -159.031
where: short stacking energy: -76.922
Base-Backbone interact. energy: -0.415
local terms energy: -68.951707
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -229.252407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.252407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.252407 (E_RNA)
where:
Base-Base interactions energy: -158.759
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.289
local terms energy: -70.204499
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -15.670
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: 108
Temperature: 1.150000
Total energy: -210.615669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.615669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.615669 (E_RNA)
where:
Base-Base interactions energy: -142.244
where: short stacking energy: -65.604
Base-Backbone interact. energy: -0.063
local terms energy: -68.308793
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -8.618
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: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -215.404496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.404496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.404496 (E_RNA)
where:
Base-Base interactions energy: -146.872
where: short stacking energy: -59.305
Base-Backbone interact. energy: -0.148
local terms energy: -68.384095
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -172.252424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.252424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.252424 (E_RNA)
where:
Base-Base interactions energy: -110.327
where: short stacking energy: -49.020
Base-Backbone interact. energy: -0.253
local terms energy: -61.672852
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -7.595
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: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -89.806480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.806480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.806480 (E_RNA)
where:
Base-Base interactions energy: -48.574
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.234
local terms energy: -40.998878
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -7.660
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -76.256126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.256126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.256126 (E_RNA)
where:
Base-Base interactions energy: -25.404
where: short stacking energy: -24.917
Base-Backbone interact. energy: 0.405
local terms energy: -51.257222
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -240.320460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.320460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.320460 (E_RNA)
where:
Base-Base interactions energy: -166.098
where: short stacking energy: -66.753
Base-Backbone interact. energy: -0.278
local terms energy: -73.944494
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -19.240
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: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -245.890521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.890521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.890521 (E_RNA)
where:
Base-Base interactions energy: -168.932
where: short stacking energy: -79.199
Base-Backbone interact. energy: -0.616
local terms energy: -76.341864
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -22.107
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: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -244.384594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.384594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.384594 (E_RNA)
where:
Base-Base interactions energy: -167.891
where: short stacking energy: -71.001
Base-Backbone interact. energy: -0.001
local terms energy: -76.492705
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -236.093267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.093267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.093267 (E_RNA)
where:
Base-Base interactions energy: -157.391
where: short stacking energy: -74.023
Base-Backbone interact. energy: -0.090
local terms energy: -78.611494
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -228.623122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.623122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.623122 (E_RNA)
where:
Base-Base interactions energy: -154.683
where: short stacking energy: -61.043
Base-Backbone interact. energy: -0.107
local terms energy: -73.832911
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -16.662
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: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -225.429803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.429803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.429803 (E_RNA)
where:
Base-Base interactions energy: -157.289
where: short stacking energy: -66.125
Base-Backbone interact. energy: -0.025
local terms energy: -68.115663
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.756
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: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -201.890670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.890670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.890670 (E_RNA)
where:
Base-Base interactions energy: -139.583
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.120
local terms energy: -62.187647
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -9.582
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: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -99.373002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.373002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.373002 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -41.122
Base-Backbone interact. energy: -0.121
local terms energy: -57.775300
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -9.102
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: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -140.617001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.617001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.617001 (E_RNA)
where:
Base-Base interactions energy: -87.242
where: short stacking energy: -33.603
Base-Backbone interact. energy: -0.168
local terms energy: -53.207127
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -10.752
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: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -89.933965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.933965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.933965 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -27.667
Base-Backbone interact. energy: -0.953
local terms energy: -49.331031
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -5.856
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: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -245.744973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.744973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.744973 (E_RNA)
where:
Base-Base interactions energy: -166.750
where: short stacking energy: -75.125
Base-Backbone interact. energy: -2.308
local terms energy: -76.687504
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -240.116284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.116284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.116284 (E_RNA)
where:
Base-Base interactions energy: -157.004
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.105
local terms energy: -83.007813
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -238.129670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.129670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.129670 (E_RNA)
where:
Base-Base interactions energy: -162.186
where: short stacking energy: -76.876
Base-Backbone interact. energy: -0.000
local terms energy: -75.943261
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -22.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -238.134639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.134639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.134639 (E_RNA)
where:
Base-Base interactions energy: -165.860
where: short stacking energy: -79.398
Base-Backbone interact. energy: -0.775
local terms energy: -71.498998
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -232.032078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.032078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.032078 (E_RNA)
where:
Base-Base interactions energy: -159.595
where: short stacking energy: -65.264
Base-Backbone interact. energy: -0.917
local terms energy: -71.519489
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -219.566404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.566404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.566404 (E_RNA)
where:
Base-Base interactions energy: -161.452
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.414
local terms energy: -57.701353
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -17.252
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: 110
Temperature: 1.200000
Total energy: -203.491761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.491761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.491761 (E_RNA)
where:
Base-Base interactions energy: -145.988
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.034
local terms energy: -57.470344
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -18.265
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: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -85.779829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.779829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.779829 (E_RNA)
where:
Base-Base interactions energy: -37.735
where: short stacking energy: -31.741
Base-Backbone interact. energy: -0.515
local terms energy: -47.529946
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -3.563
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: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -110.696922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.696922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.696922 (E_RNA)
where:
Base-Base interactions energy: -64.760
where: short stacking energy: -34.190
Base-Backbone interact. energy: -0.290
local terms energy: -45.646288
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -66.754931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.754931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.754931 (E_RNA)
where:
Base-Base interactions energy: -29.283
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.399
local terms energy: -37.073623
where:
bonds (distance) C4'-P energy: -6.407
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: 2.319
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: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -244.649940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.649940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.649940 (E_RNA)
where:
Base-Base interactions energy: -165.747
where: short stacking energy: -77.454
Base-Backbone interact. energy: -0.240
local terms energy: -78.663496
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -20.929
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: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -239.841363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.841363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.841363 (E_RNA)
where:
Base-Base interactions energy: -160.744
where: short stacking energy: -75.700
Base-Backbone interact. energy: -0.925
local terms energy: -78.172357
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -19.662
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: 111
Temperature: 1.000000
Total energy: -242.126174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.126174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.126174 (E_RNA)
where:
Base-Base interactions energy: -167.634
where: short stacking energy: -71.097
Base-Backbone interact. energy: -0.002
local terms energy: -74.490611
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -238.000820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.000820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.000820 (E_RNA)
where:
Base-Base interactions energy: -161.408
where: short stacking energy: -77.188
Base-Backbone interact. energy: -0.003
local terms energy: -76.590065
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -235.089832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.089832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.089832 (E_RNA)
where:
Base-Base interactions energy: -165.352
where: short stacking energy: -72.757
Base-Backbone interact. energy: -0.616
local terms energy: -69.121992
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -18.895
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: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -228.136591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.136591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.136591 (E_RNA)
where:
Base-Base interactions energy: -158.379
where: short stacking energy: -72.880
Base-Backbone interact. energy: 0.676
local terms energy: -70.433246
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.607
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: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -185.424825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.424825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.424825 (E_RNA)
where:
Base-Base interactions energy: -128.122
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.643
local terms energy: -56.659595
where:
bonds (distance) C4'-P energy: -2.591
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -108.140452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.140452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.140452 (E_RNA)
where:
Base-Base interactions energy: -61.118
where: short stacking energy: -37.705
Base-Backbone interact. energy: -0.496
local terms energy: -46.526527
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -75.241971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.241971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.241971 (E_RNA)
where:
Base-Base interactions energy: -26.284
where: short stacking energy: -23.041
Base-Backbone interact. energy: -0.404
local terms energy: -48.554225
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -81.484938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.484938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.484938 (E_RNA)
where:
Base-Base interactions energy: -40.271
where: short stacking energy: -27.372
Base-Backbone interact. energy: -0.285
local terms energy: -40.928196
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -9.609
flat angles C4'-P-C4' energy: -6.046
flat angles P-C4'-P energy: -12.393
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: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -249.397689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.397689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.397689 (E_RNA)
where:
Base-Base interactions energy: -173.092
where: short stacking energy: -78.833
Base-Backbone interact. energy: -0.161
local terms energy: -76.145084
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -20.426
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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -241.113724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.113724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.113724 (E_RNA)
where:
Base-Base interactions energy: -160.321
where: short stacking energy: -76.497
Base-Backbone interact. energy: -0.134
local terms energy: -80.657809
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -22.146
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: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -241.511538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.511538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.511538 (E_RNA)
where:
Base-Base interactions energy: -168.527
where: short stacking energy: -69.512
Base-Backbone interact. energy: -0.117
local terms energy: -72.866974
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -237.226002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.226002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.226002 (E_RNA)
where:
Base-Base interactions energy: -163.072
where: short stacking energy: -63.845
Base-Backbone interact. energy: -0.337
local terms energy: -73.817090
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -9.830
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: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -240.741721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.741721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.741721 (E_RNA)
where:
Base-Base interactions energy: -169.830
where: short stacking energy: -70.071
Base-Backbone interact. energy: -0.007
local terms energy: -70.904797
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -16.700
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: 112
Temperature: 1.150000
Total energy: -227.159983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.159983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.159983 (E_RNA)
where:
Base-Base interactions energy: -161.142
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.085
local terms energy: -65.932165
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -195.363365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.363365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.363365 (E_RNA)
where:
Base-Base interactions energy: -132.856
where: short stacking energy: -45.797
Base-Backbone interact. energy: -0.167
local terms energy: -62.340518
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -12.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -162.884451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.884451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.884451 (E_RNA)
where:
Base-Base interactions energy: -101.787
where: short stacking energy: -41.637
Base-Backbone interact. energy: -0.212
local terms energy: -60.886111
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -8.434
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: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -77.984834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.984834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.984834 (E_RNA)
where:
Base-Base interactions energy: -27.578
where: short stacking energy: -9.661
Base-Backbone interact. energy: -0.031
local terms energy: -50.375590
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -78.469709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.469709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.469709 (E_RNA)
where:
Base-Base interactions energy: -27.645
where: short stacking energy: -27.645
Base-Backbone interact. energy: -0.111
local terms energy: -50.714082
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -6.598
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: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -245.760849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.760849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.760849 (E_RNA)
where:
Base-Base interactions energy: -173.236
where: short stacking energy: -71.072
Base-Backbone interact. energy: -0.506
local terms energy: -72.018624
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -17.924
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: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -239.107128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.107128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.107128 (E_RNA)
where:
Base-Base interactions energy: -165.194
where: short stacking energy: -64.174
Base-Backbone interact. energy: -0.110
local terms energy: -73.802290
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -11.519
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: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -231.387228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.387228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.387228 (E_RNA)
where:
Base-Base interactions energy: -161.888
where: short stacking energy: -77.461
Base-Backbone interact. energy: -0.039
local terms energy: -69.459747
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -240.077994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.077994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.077994 (E_RNA)
where:
Base-Base interactions energy: -165.838
where: short stacking energy: -72.473
Base-Backbone interact. energy: -0.788
local terms energy: -73.452185
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -230.478564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.478564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.478564 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.031
local terms energy: -70.639479
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.940
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: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -223.003835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.003835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.003835 (E_RNA)
where:
Base-Base interactions energy: -154.499
where: short stacking energy: -68.408
Base-Backbone interact. energy: -0.006
local terms energy: -68.498741
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -11.225
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: 7, replica: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -198.445054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.445054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.445054 (E_RNA)
where:
Base-Base interactions energy: -136.279
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.001
local terms energy: -62.165746
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -6.265
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: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -167.977813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.977813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.977813 (E_RNA)
where:
Base-Base interactions energy: -115.330
where: short stacking energy: -52.616
Base-Backbone interact. energy: -0.166
local terms energy: -52.481132
where:
bonds (distance) C4'-P energy: -7.778
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -7.071
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: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -81.299005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.299005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.299005 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -31.717
Base-Backbone interact. energy: -2.381
local terms energy: -44.792217
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -7.368
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -81.662446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.662446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.662446 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -31.809
Base-Backbone interact. energy: -0.637
local terms energy: -48.353520
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: 0.046
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -244.012857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.012857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.012857 (E_RNA)
where:
Base-Base interactions energy: -173.240
where: short stacking energy: -67.505
Base-Backbone interact. energy: -1.587
local terms energy: -69.185818
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -18.558
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: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -242.547085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.547085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.547085 (E_RNA)
where:
Base-Base interactions energy: -169.719
where: short stacking energy: -77.811
Base-Backbone interact. energy: -0.003
local terms energy: -72.825168
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -21.418
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: 114
Temperature: 1.000000
Total energy: -238.362582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.362582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.362582 (E_RNA)
where:
Base-Base interactions energy: -173.029
where: short stacking energy: -69.854
Base-Backbone interact. energy: -0.383
local terms energy: -64.950425
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -240.211620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.211620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.211620 (E_RNA)
where:
Base-Base interactions energy: -166.136
where: short stacking energy: -78.212
Base-Backbone interact. energy: -1.088
local terms energy: -72.988227
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -21.162
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: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -229.746352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.746352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.746352 (E_RNA)
where:
Base-Base interactions energy: -156.550
where: short stacking energy: -70.700
Base-Backbone interact. energy: -1.390
local terms energy: -71.806864
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -228.794535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.794535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.794535 (E_RNA)
where:
Base-Base interactions energy: -160.730
where: short stacking energy: -76.544
Base-Backbone interact. energy: -0.651
local terms energy: -67.414117
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -20.750
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: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -202.991801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.991801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.991801 (E_RNA)
where:
Base-Base interactions energy: -142.950
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.008
local terms energy: -60.033852
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -15.313
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: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -170.990372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.990372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.990372 (E_RNA)
where:
Base-Base interactions energy: -111.573
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.592
local terms energy: -58.824668
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -7.043
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -7.042
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: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -73.620640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.620640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.620640 (E_RNA)
where:
Base-Base interactions energy: -23.137
where: short stacking energy: -23.137
Base-Backbone interact. energy: 0.281
local terms energy: -50.764588
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -4.787
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: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -77.403841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.403841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.403841 (E_RNA)
where:
Base-Base interactions energy: -28.651
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.044
local terms energy: -48.708719
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -6.742
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: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -244.390501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.390501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.390501 (E_RNA)
where:
Base-Base interactions energy: -176.503
where: short stacking energy: -70.720
Base-Backbone interact. energy: -0.126
local terms energy: -67.762159
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -12.591
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: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -242.205444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.205444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.205444 (E_RNA)
where:
Base-Base interactions energy: -171.281
where: short stacking energy: -67.796
Base-Backbone interact. energy: -0.015
local terms energy: -70.909126
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -244.832177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.832177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.832177 (E_RNA)
where:
Base-Base interactions energy: -172.461
where: short stacking energy: -81.138
Base-Backbone interact. energy: -0.017
local terms energy: -72.353616
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -230.950522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.950522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.950522 (E_RNA)
where:
Base-Base interactions energy: -161.557
where: short stacking energy: -77.454
Base-Backbone interact. energy: -0.575
local terms energy: -68.817987
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -213.876795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.876795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.876795 (E_RNA)
where:
Base-Base interactions energy: -146.281
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.093
local terms energy: -67.502965
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -6.901
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: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -209.936699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.936699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.936699 (E_RNA)
where:
Base-Base interactions energy: -155.855
where: short stacking energy: -65.764
Base-Backbone interact. energy: -0.430
local terms energy: -53.652340
where:
bonds (distance) C4'-P energy: -8.213
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -15.519
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: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -223.974224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.974224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.974224 (E_RNA)
where:
Base-Base interactions energy: -153.723
where: short stacking energy: -64.754
Base-Backbone interact. energy: -0.001
local terms energy: -70.250667
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -177.044572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.044572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.044572 (E_RNA)
where:
Base-Base interactions energy: -111.932
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.052
local terms energy: -65.061236
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -10.165
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: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -74.714569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.714569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.714569 (E_RNA)
where:
Base-Base interactions energy: -32.924
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.105
local terms energy: -41.685552
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: 2.520
tors. eta vs tors. theta energy: -6.761
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: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -86.197735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.197735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.197735 (E_RNA)
where:
Base-Base interactions energy: -45.621
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.306
local terms energy: -40.271382
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -255.766022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.766022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.766022 (E_RNA)
where:
Base-Base interactions energy: -177.603
where: short stacking energy: -78.261
Base-Backbone interact. energy: -0.001
local terms energy: -78.161735
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -237.478143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.478143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.478143 (E_RNA)
where:
Base-Base interactions energy: -167.248
where: short stacking energy: -77.502
Base-Backbone interact. energy: -0.015
local terms energy: -70.214850
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -239.517445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.517445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.517445 (E_RNA)
where:
Base-Base interactions energy: -160.081
where: short stacking energy: -74.990
Base-Backbone interact. energy: -0.001
local terms energy: -79.435895
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -23.578
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: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -238.730975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.730975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.730975 (E_RNA)
where:
Base-Base interactions energy: -163.890
where: short stacking energy: -76.383
Base-Backbone interact. energy: -0.047
local terms energy: -74.794092
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -18.737
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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -201.599816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.599816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.599816 (E_RNA)
where:
Base-Base interactions energy: -135.212
where: short stacking energy: -57.581
Base-Backbone interact. energy: -0.043
local terms energy: -66.344912
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -215.730256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.730256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.730256 (E_RNA)
where:
Base-Base interactions energy: -152.296
where: short stacking energy: -63.646
Base-Backbone interact. energy: -0.074
local terms energy: -63.360096
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -14.828
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: 116
Temperature: 1.200000
Total energy: -214.404616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.404616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.404616 (E_RNA)
where:
Base-Base interactions energy: -150.891
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.089
local terms energy: -63.425351
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -14.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -178.709114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.709114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.709114 (E_RNA)
where:
Base-Base interactions energy: -110.759
where: short stacking energy: -50.715
Base-Backbone interact. energy: -0.007
local terms energy: -67.943167
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.893
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: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -81.055218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.055218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.055218 (E_RNA)
where:
Base-Base interactions energy: -29.812
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.267
local terms energy: -50.975885
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -71.870985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.870985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.870985 (E_RNA)
where:
Base-Base interactions energy: -28.688
where: short stacking energy: -19.382
Base-Backbone interact. energy: -0.256
local terms energy: -42.927187
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -2.211
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: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -246.242887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.242887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.242887 (E_RNA)
where:
Base-Base interactions energy: -168.808
where: short stacking energy: -76.368
Base-Backbone interact. energy: -0.861
local terms energy: -76.574272
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -240.797806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.797806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.797806 (E_RNA)
where:
Base-Base interactions energy: -165.322
where: short stacking energy: -75.362
Base-Backbone interact. energy: -1.359
local terms energy: -74.116778
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -233.943459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.943459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.943459 (E_RNA)
where:
Base-Base interactions energy: -159.668
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.004
local terms energy: -74.271321
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -223.462894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.462894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.462894 (E_RNA)
where:
Base-Base interactions energy: -159.165
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.105
local terms energy: -64.192530
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.330
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: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -208.185574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.185574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.185574 (E_RNA)
where:
Base-Base interactions energy: -139.936
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.029
local terms energy: -68.220399
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -222.621085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.621085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.621085 (E_RNA)
where:
Base-Base interactions energy: -155.141
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.006
local terms energy: -67.474395
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -233.792816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.792816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.792816 (E_RNA)
where:
Base-Base interactions energy: -159.306
where: short stacking energy: -73.001
Base-Backbone interact. energy: -0.189
local terms energy: -74.297457
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -166.697044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.697044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.697044 (E_RNA)
where:
Base-Base interactions energy: -117.748
where: short stacking energy: -40.173
Base-Backbone interact. energy: -0.231
local terms energy: -48.718061
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -2.259
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -82.689879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.689879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.689879 (E_RNA)
where:
Base-Base interactions energy: -28.610
where: short stacking energy: -28.610
Base-Backbone interact. energy: -0.113
local terms energy: -53.967577
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -74.770711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.770711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.770711 (E_RNA)
where:
Base-Base interactions energy: -28.071
where: short stacking energy: -26.856
Base-Backbone interact. energy: -0.228
local terms energy: -46.472265
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -246.274098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.274098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.274098 (E_RNA)
where:
Base-Base interactions energy: -175.536
where: short stacking energy: -74.282
Base-Backbone interact. energy: -0.000
local terms energy: -70.737131
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -9.041
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -248.683487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.683487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.683487 (E_RNA)
where:
Base-Base interactions energy: -173.123
where: short stacking energy: -80.197
Base-Backbone interact. energy: -0.022
local terms energy: -75.538461
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -21.320
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: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -237.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.390549 (E_RNA)
where:
Base-Base interactions energy: -158.005
where: short stacking energy: -75.248
Base-Backbone interact. energy: -0.122
local terms energy: -79.263643
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -233.384091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.384091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.384091 (E_RNA)
where:
Base-Base interactions energy: -166.668
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.004
local terms energy: -66.712242
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -18.562
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: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -229.683488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.683488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.683488 (E_RNA)
where:
Base-Base interactions energy: -162.623
where: short stacking energy: -67.981
Base-Backbone interact. energy: -0.078
local terms energy: -66.982485
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -19.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -207.558069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.558069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.558069 (E_RNA)
where:
Base-Base interactions energy: -149.765
where: short stacking energy: -73.363
Base-Backbone interact. energy: -0.033
local terms energy: -57.759857
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -8.447
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -227.129583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.129583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.129583 (E_RNA)
where:
Base-Base interactions energy: -157.571
where: short stacking energy: -67.027
Base-Backbone interact. energy: -0.166
local terms energy: -69.393261
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -174.459059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.459059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.459059 (E_RNA)
where:
Base-Base interactions energy: -115.914
where: short stacking energy: -58.249
Base-Backbone interact. energy: -0.100
local terms energy: -58.445780
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -85.552132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.552132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.552132 (E_RNA)
where:
Base-Base interactions energy: -35.581
where: short stacking energy: -31.493
Base-Backbone interact. energy: -0.096
local terms energy: -49.875545
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -1.074
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: 118
Temperature: 1.350000
Total energy: -77.124843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.124843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.124843 (E_RNA)
where:
Base-Base interactions energy: -40.720
where: short stacking energy: -34.395
Base-Backbone interact. energy: -1.296
local terms energy: -35.108570
where:
bonds (distance) C4'-P energy: -4.604
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -248.056396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.056396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.056396 (E_RNA)
where:
Base-Base interactions energy: -176.900
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.741
local terms energy: -70.415982
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -19.059
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: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -241.703564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.703564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.703564 (E_RNA)
where:
Base-Base interactions energy: -171.450
where: short stacking energy: -71.281
Base-Backbone interact. energy: -0.003
local terms energy: -70.249868
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -236.559224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.559224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.559224 (E_RNA)
where:
Base-Base interactions energy: -159.745
where: short stacking energy: -69.695
Base-Backbone interact. energy: -0.786
local terms energy: -76.027917
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -20.813
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: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -233.837785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.837785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.837785 (E_RNA)
where:
Base-Base interactions energy: -166.116
where: short stacking energy: -75.967
Base-Backbone interact. energy: -0.001
local terms energy: -67.720348
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -225.308019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.308019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.308019 (E_RNA)
where:
Base-Base interactions energy: -156.782
where: short stacking energy: -71.622
Base-Backbone interact. energy: -0.299
local terms energy: -68.227162
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -8.521
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: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -219.938171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.938171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.938171 (E_RNA)
where:
Base-Base interactions energy: -150.921
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.214
local terms energy: -68.803291
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -191.374751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.374751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.374751 (E_RNA)
where:
Base-Base interactions energy: -129.635
where: short stacking energy: -51.675
Base-Backbone interact. energy: -0.980
local terms energy: -60.759318
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -174.357759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.357759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.357759 (E_RNA)
where:
Base-Base interactions energy: -115.941
where: short stacking energy: -46.407
Base-Backbone interact. energy: -0.291
local terms energy: -58.126051
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -9.061
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -92.692683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.692683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.692683 (E_RNA)
where:
Base-Base interactions energy: -37.886
where: short stacking energy: -37.886
Base-Backbone interact. energy: -0.168
local terms energy: -54.638711
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -8.743
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: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -74.646917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.646917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.646917 (E_RNA)
where:
Base-Base interactions energy: -36.351
where: short stacking energy: -20.344
Base-Backbone interact. energy: -0.054
local terms energy: -38.242197
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -3.204
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: 0.683
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: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -242.091294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.091294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.091294 (E_RNA)
where:
Base-Base interactions energy: -163.269
where: short stacking energy: -82.515
Base-Backbone interact. energy: -0.034
local terms energy: -78.788832
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -19.317
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: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -243.337141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.337141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.337141 (E_RNA)
where:
Base-Base interactions energy: -166.251
where: short stacking energy: -78.837
Base-Backbone interact. energy: -0.000
local terms energy: -77.085996
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -19.108
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: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -240.959087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.959087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.959087 (E_RNA)
where:
Base-Base interactions energy: -168.177
where: short stacking energy: -66.239
Base-Backbone interact. energy: -0.278
local terms energy: -72.504235
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -19.154
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: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -239.793364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.793364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.793364 (E_RNA)
where:
Base-Base interactions energy: -164.670
where: short stacking energy: -76.315
Base-Backbone interact. energy: -0.051
local terms energy: -75.072581
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -211.321341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.321341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.321341 (E_RNA)
where:
Base-Base interactions energy: -148.841
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.626
local terms energy: -61.854178
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -221.722932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.722932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.722932 (E_RNA)
where:
Base-Base interactions energy: -154.657
where: short stacking energy: -69.188
Base-Backbone interact. energy: 1.084
local terms energy: -68.150598
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -177.097057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.097057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.097057 (E_RNA)
where:
Base-Base interactions energy: -112.450
where: short stacking energy: -52.332
Base-Backbone interact. energy: -0.031
local terms energy: -64.615672
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -15.165
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: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -191.715641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.715641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.715641 (E_RNA)
where:
Base-Base interactions energy: -138.307
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.652
local terms energy: -52.756370
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -8.505
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -83.457551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.457551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.457551 (E_RNA)
where:
Base-Base interactions energy: -31.558
where: short stacking energy: -22.846
Base-Backbone interact. energy: -0.015
local terms energy: -51.884755
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -80.062128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.062128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.062128 (E_RNA)
where:
Base-Base interactions energy: -28.949
where: short stacking energy: -28.949
Base-Backbone interact. energy: -0.476
local terms energy: -50.636790
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -246.560068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.560068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.560068 (E_RNA)
where:
Base-Base interactions energy: -170.970
where: short stacking energy: -82.638
Base-Backbone interact. energy: -0.916
local terms energy: -74.673721
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -237.797158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.797158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.797158 (E_RNA)
where:
Base-Base interactions energy: -163.569
where: short stacking energy: -77.570
Base-Backbone interact. energy: -0.315
local terms energy: -73.913609
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -18.700
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: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -235.766619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.766619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.766619 (E_RNA)
where:
Base-Base interactions energy: -166.479
where: short stacking energy: -73.953
Base-Backbone interact. energy: -0.314
local terms energy: -68.973920
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -18.447
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: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -240.476492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.476492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.476492 (E_RNA)
where:
Base-Base interactions energy: -165.233
where: short stacking energy: -77.303
Base-Backbone interact. energy: -0.232
local terms energy: -75.012114
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -229.637183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.637183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.637183 (E_RNA)
where:
Base-Base interactions energy: -158.534
where: short stacking energy: -68.625
Base-Backbone interact. energy: -0.219
local terms energy: -70.884238
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -223.991607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.991607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.991607 (E_RNA)
where:
Base-Base interactions energy: -152.672
where: short stacking energy: -60.344
Base-Backbone interact. energy: -0.812
local terms energy: -70.507762
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -189.218824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.218824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.218824 (E_RNA)
where:
Base-Base interactions energy: -128.887
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.797
local terms energy: -59.534722
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -91.001688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.001688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.001688 (E_RNA)
where:
Base-Base interactions energy: -39.946
where: short stacking energy: -40.246
Base-Backbone interact. energy: 0.598
local terms energy: -51.653422
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -7.735
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -199.981984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.981984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.981984 (E_RNA)
where:
Base-Base interactions energy: -137.286
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.594
local terms energy: -62.101721
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -68.198035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.198035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.198035 (E_RNA)
where:
Base-Base interactions energy: -26.218
where: short stacking energy: -26.218
Base-Backbone interact. energy: -0.091
local terms energy: -41.889050
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -5.435
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -245.012353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.012353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.012353 (E_RNA)
where:
Base-Base interactions energy: -168.736
where: short stacking energy: -76.026
Base-Backbone interact. energy: -0.588
local terms energy: -75.687947
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -241.566156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.566156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.566156 (E_RNA)
where:
Base-Base interactions energy: -168.643
where: short stacking energy: -71.231
Base-Backbone interact. energy: -0.578
local terms energy: -72.345175
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -239.804825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.804825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.804825 (E_RNA)
where:
Base-Base interactions energy: -164.663
where: short stacking energy: -73.292
Base-Backbone interact. energy: -0.003
local terms energy: -75.138587
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -230.853076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.853076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.853076 (E_RNA)
where:
Base-Base interactions energy: -163.517
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.216
local terms energy: -67.120646
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -12.333
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: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -234.893373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.893373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.893373 (E_RNA)
where:
Base-Base interactions energy: -157.918
where: short stacking energy: -71.664
Base-Backbone interact. energy: -0.092
local terms energy: -76.882880
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -20.546
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: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -224.622872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.622872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.622872 (E_RNA)
where:
Base-Base interactions energy: -156.202
where: short stacking energy: -60.667
Base-Backbone interact. energy: 0.097
local terms energy: -68.517972
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -10.358
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: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -179.006596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.006596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.006596 (E_RNA)
where:
Base-Base interactions energy: -113.045
where: short stacking energy: -44.068
Base-Backbone interact. energy: -0.319
local terms energy: -65.642165
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -91.746402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.746402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.746402 (E_RNA)
where:
Base-Base interactions energy: -39.857
where: short stacking energy: -39.635
Base-Backbone interact. energy: -0.055
local terms energy: -51.834320
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -182.369279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.369279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.369279 (E_RNA)
where:
Base-Base interactions energy: -120.553
where: short stacking energy: -58.676
Base-Backbone interact. energy: -0.059
local terms energy: -61.756986
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -73.938848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.938848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.938848 (E_RNA)
where:
Base-Base interactions energy: -22.431
where: short stacking energy: -22.153
Base-Backbone interact. energy: 0.106
local terms energy: -51.614119
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -241.955436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.955436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.955436 (E_RNA)
where:
Base-Base interactions energy: -161.962
where: short stacking energy: -77.732
Base-Backbone interact. energy: 0.338
local terms energy: -80.331759
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -241.218668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.218668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.218668 (E_RNA)
where:
Base-Base interactions energy: -169.961
where: short stacking energy: -75.721
Base-Backbone interact. energy: -0.002
local terms energy: -71.255999
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -239.470182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.470182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.470182 (E_RNA)
where:
Base-Base interactions energy: -169.088
where: short stacking energy: -71.929
Base-Backbone interact. energy: -0.096
local terms energy: -70.285755
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -19.117
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: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -229.522992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.522992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.522992 (E_RNA)
where:
Base-Base interactions energy: -162.919
where: short stacking energy: -74.255
Base-Backbone interact. energy: -0.240
local terms energy: -66.363603
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -17.822
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: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -228.847744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.847744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.847744 (E_RNA)
where:
Base-Base interactions energy: -154.015
where: short stacking energy: -59.626
Base-Backbone interact. energy: 0.218
local terms energy: -75.050331
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -229.824410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.824410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.824410 (E_RNA)
where:
Base-Base interactions energy: -157.977
where: short stacking energy: -63.676
Base-Backbone interact. energy: -0.384
local terms energy: -71.463781
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -188.206951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.206951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.206951 (E_RNA)
where:
Base-Base interactions energy: -124.448
where: short stacking energy: -58.818
Base-Backbone interact. energy: -0.157
local terms energy: -63.601746
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -126.220235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.220235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.220235 (E_RNA)
where:
Base-Base interactions energy: -73.297
where: short stacking energy: -41.360
Base-Backbone interact. energy: -0.133
local terms energy: -52.790552
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -95.711866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.711866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.711866 (E_RNA)
where:
Base-Base interactions energy: -43.556
where: short stacking energy: -36.008
Base-Backbone interact. energy: -0.093
local terms energy: -52.062771
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -1.341
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -91.495859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.495859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.495859 (E_RNA)
where:
Base-Base interactions energy: -39.508
where: short stacking energy: -22.477
Base-Backbone interact. energy: -0.797
local terms energy: -51.190908
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -1.590
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: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -244.239638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.239638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.239638 (E_RNA)
where:
Base-Base interactions energy: -176.073
where: short stacking energy: -69.518
Base-Backbone interact. energy: -0.263
local terms energy: -67.903616
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -242.094119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.094119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.094119 (E_RNA)
where:
Base-Base interactions energy: -165.801
where: short stacking energy: -75.412
Base-Backbone interact. energy: -0.012
local terms energy: -76.281162
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -242.058172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.058172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.058172 (E_RNA)
where:
Base-Base interactions energy: -167.686
where: short stacking energy: -74.979
Base-Backbone interact. energy: -0.019
local terms energy: -74.353115
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -230.851194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.851194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.851194 (E_RNA)
where:
Base-Base interactions energy: -160.777
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.576
local terms energy: -69.497596
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -15.488
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: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -237.550434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.550434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.550434 (E_RNA)
where:
Base-Base interactions energy: -160.899
where: short stacking energy: -74.870
Base-Backbone interact. energy: -0.014
local terms energy: -76.637932
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -238.221462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.221462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.221462 (E_RNA)
where:
Base-Base interactions energy: -159.928
where: short stacking energy: -68.737
Base-Backbone interact. energy: -0.001
local terms energy: -78.292736
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -22.293
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: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -144.683176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.683176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.683176 (E_RNA)
where:
Base-Base interactions energy: -94.357
where: short stacking energy: -43.437
Base-Backbone interact. energy: -0.758
local terms energy: -49.567394
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -8.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -170.306286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.306286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.306286 (E_RNA)
where:
Base-Base interactions energy: -112.769
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.077
local terms energy: -57.460116
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -98.059166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.059166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.059166 (E_RNA)
where:
Base-Base interactions energy: -59.244
where: short stacking energy: -42.855
Base-Backbone interact. energy: -0.115
local terms energy: -38.700306
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -9.840
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -2.532
tors. eta vs tors. theta energy: -4.363
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: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -71.924772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.924772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.924772 (E_RNA)
where:
Base-Base interactions energy: -24.725
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.308
local terms energy: -46.891949
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -3.470
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: 125
Temperature: 0.900000
Total energy: -243.972155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.972155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.972155 (E_RNA)
where:
Base-Base interactions energy: -169.884
where: short stacking energy: -66.955
Base-Backbone interact. energy: -1.280
local terms energy: -72.808121
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -245.264782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.264782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.264782 (E_RNA)
where:
Base-Base interactions energy: -164.176
where: short stacking energy: -73.626
Base-Backbone interact. energy: -0.041
local terms energy: -81.047565
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -236.855984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.855984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.855984 (E_RNA)
where:
Base-Base interactions energy: -161.904
where: short stacking energy: -77.449
Base-Backbone interact. energy: -0.002
local terms energy: -74.950674
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -233.155963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.155963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.155963 (E_RNA)
where:
Base-Base interactions energy: -164.609
where: short stacking energy: -76.073
Base-Backbone interact. energy: -0.343
local terms energy: -68.204554
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -21.582
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: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -225.663856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.663856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.663856 (E_RNA)
where:
Base-Base interactions energy: -154.290
where: short stacking energy: -70.507
Base-Backbone interact. energy: -0.529
local terms energy: -70.845390
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -223.894687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.894687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.894687 (E_RNA)
where:
Base-Base interactions energy: -162.147
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.825
local terms energy: -60.923059
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -136.485018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.485018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.485018 (E_RNA)
where:
Base-Base interactions energy: -77.780
where: short stacking energy: -43.404
Base-Backbone interact. energy: -0.130
local terms energy: -58.575171
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -191.029133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.029133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.029133 (E_RNA)
where:
Base-Base interactions energy: -131.901
where: short stacking energy: -55.614
Base-Backbone interact. energy: -0.121
local terms energy: -59.006952
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -9.252
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: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -99.162672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.162672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.162672 (E_RNA)
where:
Base-Base interactions energy: -55.832
where: short stacking energy: -27.931
Base-Backbone interact. energy: -0.456
local terms energy: -42.874486
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -8.161
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: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -85.920774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.920774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.920774 (E_RNA)
where:
Base-Base interactions energy: -33.711
where: short stacking energy: -33.711
Base-Backbone interact. energy: -0.194
local terms energy: -52.016064
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -249.133551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.133551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.133551 (E_RNA)
where:
Base-Base interactions energy: -175.850
where: short stacking energy: -78.697
Base-Backbone interact. energy: -0.239
local terms energy: -73.044788
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -19.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -245.456836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.456836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.456836 (E_RNA)
where:
Base-Base interactions energy: -173.897
where: short stacking energy: -72.393
Base-Backbone interact. energy: -0.783
local terms energy: -70.777349
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -243.811801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.811801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.811801 (E_RNA)
where:
Base-Base interactions energy: -166.008
where: short stacking energy: -79.156
Base-Backbone interact. energy: -0.220
local terms energy: -77.583579
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -20.264
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: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -234.040821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.040821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.040821 (E_RNA)
where:
Base-Base interactions energy: -159.648
where: short stacking energy: -73.974
Base-Backbone interact. energy: -0.001
local terms energy: -74.391521
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -20.274
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: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -228.275715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.275715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.275715 (E_RNA)
where:
Base-Base interactions energy: -165.803
where: short stacking energy: -73.955
Base-Backbone interact. energy: -0.990
local terms energy: -61.482421
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -222.571619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.571619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.571619 (E_RNA)
where:
Base-Base interactions energy: -157.822
where: short stacking energy: -74.008
Base-Backbone interact. energy: -0.009
local terms energy: -64.740251
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -9.515
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -21.075
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: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -182.403492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.403492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.403492 (E_RNA)
where:
Base-Base interactions energy: -113.685
where: short stacking energy: -54.536
Base-Backbone interact. energy: -0.022
local terms energy: -68.696528
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -14.534
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: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -127.786054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.786054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.786054 (E_RNA)
where:
Base-Base interactions energy: -74.930
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.252
local terms energy: -52.604494
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -186.668305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.668305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.668305 (E_RNA)
where:
Base-Base interactions energy: -126.673
where: short stacking energy: -53.739
Base-Backbone interact. energy: 0.173
local terms energy: -60.167988
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -70.287163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.287163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.287163 (E_RNA)
where:
Base-Base interactions energy: -31.739
where: short stacking energy: -29.611
Base-Backbone interact. energy: -0.169
local terms energy: -38.379182
where:
bonds (distance) C4'-P energy: -6.349
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -252.024707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.024707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.024707 (E_RNA)
where:
Base-Base interactions energy: -174.532
where: short stacking energy: -78.735
Base-Backbone interact. energy: -0.002
local terms energy: -77.490611
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -20.770
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: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -239.965716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.965716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.965716 (E_RNA)
where:
Base-Base interactions energy: -170.671
where: short stacking energy: -72.618
Base-Backbone interact. energy: 0.441
local terms energy: -69.736489
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -244.320422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.320422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.320422 (E_RNA)
where:
Base-Base interactions energy: -173.481
where: short stacking energy: -74.279
Base-Backbone interact. energy: -0.015
local terms energy: -70.823815
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -234.258960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.258960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.258960 (E_RNA)
where:
Base-Base interactions energy: -160.336
where: short stacking energy: -76.048
Base-Backbone interact. energy: -0.001
local terms energy: -73.922121
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -18.851
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: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -226.585421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.585421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.585421 (E_RNA)
where:
Base-Base interactions energy: -162.212
where: short stacking energy: -63.448
Base-Backbone interact. energy: -0.047
local terms energy: -64.326135
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -223.410132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.410132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.410132 (E_RNA)
where:
Base-Base interactions energy: -154.012
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.006
local terms energy: -69.391806
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -21.565
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: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -182.306365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.306365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.306365 (E_RNA)
where:
Base-Base interactions energy: -117.782
where: short stacking energy: -50.717
Base-Backbone interact. energy: 0.049
local terms energy: -64.573344
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -224.057196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.057196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.057196 (E_RNA)
where:
Base-Base interactions energy: -159.227
where: short stacking energy: -72.029
Base-Backbone interact. energy: -0.577
local terms energy: -64.253694
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -19.563
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: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -128.860840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.860840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.860840 (E_RNA)
where:
Base-Base interactions energy: -74.737
where: short stacking energy: -36.887
Base-Backbone interact. energy: -0.265
local terms energy: -53.859055
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -5.268
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: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -71.900224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.900224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.900224 (E_RNA)
where:
Base-Base interactions energy: -20.917
where: short stacking energy: -20.738
Base-Backbone interact. energy: 0.597
local terms energy: -51.580382
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -7.990
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: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -249.096930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.096930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.096930 (E_RNA)
where:
Base-Base interactions energy: -172.045
where: short stacking energy: -73.250
Base-Backbone interact. energy: -0.940
local terms energy: -76.112237
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -20.321
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: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -246.936584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.936584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.936584 (E_RNA)
where:
Base-Base interactions energy: -166.439
where: short stacking energy: -77.316
Base-Backbone interact. energy: -0.414
local terms energy: -80.084475
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -232.322836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.322836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.322836 (E_RNA)
where:
Base-Base interactions energy: -161.709
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.015
local terms energy: -70.599019
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -236.245690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.245690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.245690 (E_RNA)
where:
Base-Base interactions energy: -166.026
where: short stacking energy: -82.884
Base-Backbone interact. energy: -0.178
local terms energy: -70.041457
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -230.145078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.145078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.145078 (E_RNA)
where:
Base-Base interactions energy: -157.781
where: short stacking energy: -75.922
Base-Backbone interact. energy: -0.305
local terms energy: -72.059198
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -218.462378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.462378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.462378 (E_RNA)
where:
Base-Base interactions energy: -155.128
where: short stacking energy: -62.899
Base-Backbone interact. energy: -0.104
local terms energy: -63.230328
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -7.202
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: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -220.204558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.204558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.204558 (E_RNA)
where:
Base-Base interactions energy: -151.472
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.001
local terms energy: -68.731490
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -17.227
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: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -182.068295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.068295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.068295 (E_RNA)
where:
Base-Base interactions energy: -119.051
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.084
local terms energy: -62.933603
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -6.519
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: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -78.826934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.826934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.826934 (E_RNA)
where:
Base-Base interactions energy: -28.528
where: short stacking energy: -25.326
Base-Backbone interact. energy: -0.148
local terms energy: -50.150785
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -10.294
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: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -78.667243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.667243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.667243 (E_RNA)
where:
Base-Base interactions energy: -30.618
where: short stacking energy: -28.775
Base-Backbone interact. energy: -0.139
local terms energy: -47.910555
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -3.104
tors. eta vs tors. theta energy: -6.589
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: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -248.554372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.554372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.554372 (E_RNA)
where:
Base-Base interactions energy: -171.058
where: short stacking energy: -80.094
Base-Backbone interact. energy: -0.382
local terms energy: -77.114016
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -242.741453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.741453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.741453 (E_RNA)
where:
Base-Base interactions energy: -167.219
where: short stacking energy: -79.805
Base-Backbone interact. energy: -0.008
local terms energy: -75.513828
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -241.171997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.171997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.171997 (E_RNA)
where:
Base-Base interactions energy: -162.633
where: short stacking energy: -71.842
Base-Backbone interact. energy: -0.346
local terms energy: -78.192597
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -237.751061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.751061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.751061 (E_RNA)
where:
Base-Base interactions energy: -160.844
where: short stacking energy: -74.504
Base-Backbone interact. energy: -0.001
local terms energy: -76.905701
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -20.809
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: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -230.472579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.472579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.472579 (E_RNA)
where:
Base-Base interactions energy: -158.423
where: short stacking energy: -72.961
Base-Backbone interact. energy: -0.004
local terms energy: -72.045592
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -9.641
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -20.157
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: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -223.471015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.471015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.471015 (E_RNA)
where:
Base-Base interactions energy: -152.933
where: short stacking energy: -65.729
Base-Backbone interact. energy: -0.056
local terms energy: -70.482525
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -11.252
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: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -214.116725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.116725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.116725 (E_RNA)
where:
Base-Base interactions energy: -153.016
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.005
local terms energy: -61.095787
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -167.291743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.291743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.291743 (E_RNA)
where:
Base-Base interactions energy: -105.469
where: short stacking energy: -40.478
Base-Backbone interact. energy: -0.212
local terms energy: -61.610617
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -9.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -72.474474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.474474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.474474 (E_RNA)
where:
Base-Base interactions energy: -29.369
where: short stacking energy: -29.369
Base-Backbone interact. energy: -1.083
local terms energy: -42.022735
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -9.859
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -4.637
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: 10, replica: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -77.565234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.565234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.565234 (E_RNA)
where:
Base-Base interactions energy: -34.954
where: short stacking energy: -33.166
Base-Backbone interact. energy: -0.218
local terms energy: -42.393775
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: 2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -245.292722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.292722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.292722 (E_RNA)
where:
Base-Base interactions energy: -176.064
where: short stacking energy: -83.179
Base-Backbone interact. energy: -0.000
local terms energy: -69.228409
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -243.918962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.918962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.918962 (E_RNA)
where:
Base-Base interactions energy: -179.484
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.819
local terms energy: -63.615539
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -12.846
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: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -245.062816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.062816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.062816 (E_RNA)
where:
Base-Base interactions energy: -172.042
where: short stacking energy: -81.310
Base-Backbone interact. energy: -0.179
local terms energy: -72.841480
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -234.334021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.334021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.334021 (E_RNA)
where:
Base-Base interactions energy: -163.326
where: short stacking energy: -66.874
Base-Backbone interact. energy: -0.013
local terms energy: -70.994791
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -12.254
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: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -226.307180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.307180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.307180 (E_RNA)
where:
Base-Base interactions energy: -160.647
where: short stacking energy: -63.366
Base-Backbone interact. energy: -0.108
local terms energy: -65.551460
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -10.477
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: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -223.332297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.332297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.332297 (E_RNA)
where:
Base-Base interactions energy: -161.559
where: short stacking energy: -69.570
Base-Backbone interact. energy: -0.072
local terms energy: -61.700606
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -16.390
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: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -225.952992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.952992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.952992 (E_RNA)
where:
Base-Base interactions energy: -160.314
where: short stacking energy: -65.843
Base-Backbone interact. energy: -0.070
local terms energy: -65.569259
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -17.479
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: 130
Temperature: 1.250000
Total energy: -211.715430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.715430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.715430 (E_RNA)
where:
Base-Base interactions energy: -148.605
where: short stacking energy: -60.485
Base-Backbone interact. energy: -0.065
local terms energy: -63.045388
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -9.748
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: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -84.080641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.080641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.080641 (E_RNA)
where:
Base-Base interactions energy: -32.018
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.019
local terms energy: -52.044422
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -70.214831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.214831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.214831 (E_RNA)
where:
Base-Base interactions energy: -21.045
where: short stacking energy: -13.308
Base-Backbone interact. energy: -0.391
local terms energy: -48.778812
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: 2.046
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: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -241.908758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.908758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.908758 (E_RNA)
where:
Base-Base interactions energy: -168.111
where: short stacking energy: -77.057
Base-Backbone interact. energy: -0.007
local terms energy: -73.791181
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -249.261830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.261830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.261830 (E_RNA)
where:
Base-Base interactions energy: -169.849
where: short stacking energy: -72.666
Base-Backbone interact. energy: -2.679
local terms energy: -76.733237
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -235.014792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.014792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.014792 (E_RNA)
where:
Base-Base interactions energy: -173.877
where: short stacking energy: -65.920
Base-Backbone interact. energy: -0.152
local terms energy: -60.986160
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -237.146163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.146163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.146163 (E_RNA)
where:
Base-Base interactions energy: -167.338
where: short stacking energy: -71.236
Base-Backbone interact. energy: -0.593
local terms energy: -69.214582
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -8.467
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: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -231.390269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.390269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.390269 (E_RNA)
where:
Base-Base interactions energy: -162.539
where: short stacking energy: -67.829
Base-Backbone interact. energy: -0.686
local terms energy: -68.165063
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -19.609
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: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -225.319555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.319555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.319555 (E_RNA)
where:
Base-Base interactions energy: -159.767
where: short stacking energy: -72.761
Base-Backbone interact. energy: -0.011
local terms energy: -65.541369
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -225.140625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.140625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.140625 (E_RNA)
where:
Base-Base interactions energy: -158.966
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.015
local terms energy: -66.159899
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.141
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: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -211.450740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.450740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.450740 (E_RNA)
where:
Base-Base interactions energy: -142.939
where: short stacking energy: -71.105
Base-Backbone interact. energy: -0.000
local terms energy: -68.511369
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -9.748
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: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -84.453390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.453390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.453390 (E_RNA)
where:
Base-Base interactions energy: -29.275
where: short stacking energy: -29.275
Base-Backbone interact. energy: -0.117
local terms energy: -55.061969
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -77.904145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.904145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.904145 (E_RNA)
where:
Base-Base interactions energy: -39.689
where: short stacking energy: -27.224
Base-Backbone interact. energy: 0.326
local terms energy: -38.541173
where:
bonds (distance) C4'-P energy: -5.606
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -246.770084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.770084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.770084 (E_RNA)
where:
Base-Base interactions energy: -173.675
where: short stacking energy: -75.382
Base-Backbone interact. energy: -0.001
local terms energy: -73.094277
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -240.012676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.012676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.012676 (E_RNA)
where:
Base-Base interactions energy: -167.226
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.090
local terms energy: -72.696708
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -229.061637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.061637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.061637 (E_RNA)
where:
Base-Base interactions energy: -156.891
where: short stacking energy: -72.150
Base-Backbone interact. energy: -0.667
local terms energy: -71.503981
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -233.962480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.962480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.962480 (E_RNA)
where:
Base-Base interactions energy: -165.995
where: short stacking energy: -74.227
Base-Backbone interact. energy: -0.616
local terms energy: -67.351299
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -230.002098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.002098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.002098 (E_RNA)
where:
Base-Base interactions energy: -156.466
where: short stacking energy: -68.861
Base-Backbone interact. energy: -0.155
local terms energy: -73.381931
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -225.820572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.820572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.820572 (E_RNA)
where:
Base-Base interactions energy: -155.623
where: short stacking energy: -67.145
Base-Backbone interact. energy: -0.043
local terms energy: -70.155461
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -209.870074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.870074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870074 (E_RNA)
where:
Base-Base interactions energy: -152.145
where: short stacking energy: -58.852
Base-Backbone interact. energy: -0.609
local terms energy: -57.115602
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -10.197
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -216.777699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.777699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.777699 (E_RNA)
where:
Base-Base interactions energy: -151.166
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.009
local terms energy: -65.602994
where:
bonds (distance) C4'-P energy: -7.522
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -20.672
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: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -73.587642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.587642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.587642 (E_RNA)
where:
Base-Base interactions energy: -26.043
where: short stacking energy: -26.043
Base-Backbone interact. energy: -0.340
local terms energy: -47.204581
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: 3.960
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: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -74.203372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.203372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.203372 (E_RNA)
where:
Base-Base interactions energy: -23.468
where: short stacking energy: -23.468
Base-Backbone interact. energy: -0.289
local terms energy: -50.446402
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -2.127
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: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -246.608420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.608420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.608420 (E_RNA)
where:
Base-Base interactions energy: -168.860
where: short stacking energy: -79.271
Base-Backbone interact. energy: -0.002
local terms energy: -77.746123
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -241.447439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.447439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.447439 (E_RNA)
where:
Base-Base interactions energy: -160.164
where: short stacking energy: -77.668
Base-Backbone interact. energy: -0.003
local terms energy: -81.280413
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -239.748734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.748734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.748734 (E_RNA)
where:
Base-Base interactions energy: -177.170
where: short stacking energy: -75.745
Base-Backbone interact. energy: -0.758
local terms energy: -61.820258
where:
bonds (distance) C4'-P energy: -7.968
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -225.374774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.374774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.374774 (E_RNA)
where:
Base-Base interactions energy: -162.980
where: short stacking energy: -67.541
Base-Backbone interact. energy: -1.679
local terms energy: -60.716667
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -10.450
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: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -235.060467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.060467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.060467 (E_RNA)
where:
Base-Base interactions energy: -163.459
where: short stacking energy: -68.510
Base-Backbone interact. energy: -1.220
local terms energy: -70.381511
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -17.751
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: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -222.260574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.260574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.260574 (E_RNA)
where:
Base-Base interactions energy: -160.781
where: short stacking energy: -62.810
Base-Backbone interact. energy: -0.092
local terms energy: -61.387534
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -211.290472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.290472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.290472 (E_RNA)
where:
Base-Base interactions energy: -147.069
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.163
local terms energy: -64.057682
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -216.683734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.683734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.683734 (E_RNA)
where:
Base-Base interactions energy: -143.967
where: short stacking energy: -68.342
Base-Backbone interact. energy: -0.000
local terms energy: -72.716038
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -22.185
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: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -80.120089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.120089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.120089 (E_RNA)
where:
Base-Base interactions energy: -29.460
where: short stacking energy: -29.460
Base-Backbone interact. energy: 0.684
local terms energy: -51.343862
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -73.776220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.776220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.776220 (E_RNA)
where:
Base-Base interactions energy: -23.830
where: short stacking energy: -23.830
Base-Backbone interact. energy: -0.158
local terms energy: -49.787675
where:
bonds (distance) C4'-P energy: -7.340
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -246.895668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.895668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.895668 (E_RNA)
where:
Base-Base interactions energy: -172.693
where: short stacking energy: -80.289
Base-Backbone interact. energy: -0.047
local terms energy: -74.155630
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -244.983824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.983824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.983824 (E_RNA)
where:
Base-Base interactions energy: -163.251
where: short stacking energy: -79.350
Base-Backbone interact. energy: -0.039
local terms energy: -81.692995
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -22.899
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: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -242.983991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.983991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.983991 (E_RNA)
where:
Base-Base interactions energy: -164.392
where: short stacking energy: -73.438
Base-Backbone interact. energy: 0.066
local terms energy: -78.657246
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -230.214739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.214739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.214739 (E_RNA)
where:
Base-Base interactions energy: -158.403
where: short stacking energy: -72.776
Base-Backbone interact. energy: -0.071
local terms energy: -71.740239
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -11.824
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: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -223.089887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.089887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.089887 (E_RNA)
where:
Base-Base interactions energy: -152.340
where: short stacking energy: -70.874
Base-Backbone interact. energy: -0.002
local terms energy: -70.748631
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -19.445
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: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -227.906435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.906435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.906435 (E_RNA)
where:
Base-Base interactions energy: -161.560
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.144
local terms energy: -66.202919
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -9.498
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: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -226.053578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.053578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.053578 (E_RNA)
where:
Base-Base interactions energy: -157.814
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.694
local terms energy: -67.546064
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -19.746
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: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -217.185224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.185224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.185224 (E_RNA)
where:
Base-Base interactions energy: -149.453
where: short stacking energy: -73.908
Base-Backbone interact. energy: -0.232
local terms energy: -67.499964
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -9.296
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: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -76.679992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.679992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.679992 (E_RNA)
where:
Base-Base interactions energy: -24.648
where: short stacking energy: -26.848
Base-Backbone interact. energy: 1.114
local terms energy: -53.146881
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -79.711724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.711724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.711724 (E_RNA)
where:
Base-Base interactions energy: -32.692
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.009
local terms energy: -47.010489
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -8.779
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -5.633
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: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -251.471625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.471625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.471625 (E_RNA)
where:
Base-Base interactions energy: -170.810
where: short stacking energy: -76.506
Base-Backbone interact. energy: -1.066
local terms energy: -79.595423
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -20.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -246.518142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.518142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.518142 (E_RNA)
where:
Base-Base interactions energy: -165.023
where: short stacking energy: -79.589
Base-Backbone interact. energy: -0.903
local terms energy: -80.591339
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -21.857
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: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -240.729637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.729637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.729637 (E_RNA)
where:
Base-Base interactions energy: -163.959
where: short stacking energy: -69.271
Base-Backbone interact. energy: -0.438
local terms energy: -76.332604
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -239.109187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.109187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.109187 (E_RNA)
where:
Base-Base interactions energy: -159.740
where: short stacking energy: -76.132
Base-Backbone interact. energy: -2.006
local terms energy: -77.362618
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -231.293011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.293011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.293011 (E_RNA)
where:
Base-Base interactions energy: -157.975
where: short stacking energy: -70.747
Base-Backbone interact. energy: -0.023
local terms energy: -73.294767
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -236.997606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.997606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.997606 (E_RNA)
where:
Base-Base interactions energy: -159.671
where: short stacking energy: -78.128
Base-Backbone interact. energy: -0.025
local terms energy: -77.301490
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -21.994
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: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -224.222626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.222626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.222626 (E_RNA)
where:
Base-Base interactions energy: -157.466
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.294
local terms energy: -66.463092
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.014
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: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -211.906415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.906415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.906415 (E_RNA)
where:
Base-Base interactions energy: -147.848
where: short stacking energy: -62.151
Base-Backbone interact. energy: -0.081
local terms energy: -63.977325
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -11.475
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: 9, replica: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -141.974040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.974040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.974040 (E_RNA)
where:
Base-Base interactions energy: -79.482
where: short stacking energy: -40.377
Base-Backbone interact. energy: 0.484
local terms energy: -62.976321
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -69.506997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.506997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.506997 (E_RNA)
where:
Base-Base interactions energy: -34.405
where: short stacking energy: -33.789
Base-Backbone interact. energy: 0.279
local terms energy: -35.381632
where:
bonds (distance) C4'-P energy: -7.269
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -1.338
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -245.796827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.796827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.796827 (E_RNA)
where:
Base-Base interactions energy: -167.925
where: short stacking energy: -77.933
Base-Backbone interact. energy: -0.009
local terms energy: -77.863434
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -241.506618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.506618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.506618 (E_RNA)
where:
Base-Base interactions energy: -164.700
where: short stacking energy: -76.691
Base-Backbone interact. energy: -0.224
local terms energy: -76.582554
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -239.237684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.237684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.237684 (E_RNA)
where:
Base-Base interactions energy: -160.900
where: short stacking energy: -73.223
Base-Backbone interact. energy: -0.621
local terms energy: -77.716623
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -21.210
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: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -233.016155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.016155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.016155 (E_RNA)
where:
Base-Base interactions energy: -164.683
where: short stacking energy: -61.517
Base-Backbone interact. energy: -0.034
local terms energy: -68.299636
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -16.665
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: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -225.016105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.016105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.016105 (E_RNA)
where:
Base-Base interactions energy: -156.766
where: short stacking energy: -69.461
Base-Backbone interact. energy: -0.176
local terms energy: -68.073850
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -232.041552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.041552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.041552 (E_RNA)
where:
Base-Base interactions energy: -160.716
where: short stacking energy: -77.498
Base-Backbone interact. energy: -0.159
local terms energy: -71.166635
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -22.654
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: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -214.820389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.820389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.820389 (E_RNA)
where:
Base-Base interactions energy: -143.424
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.268
local terms energy: -71.128316
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -13.727
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: 136
Temperature: 1.250000
Total energy: -211.184489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.184489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.184489 (E_RNA)
where:
Base-Base interactions energy: -147.375
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.400
local terms energy: -63.409862
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -11.559
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: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -128.678278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.678278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.678278 (E_RNA)
where:
Base-Base interactions energy: -72.742
where: short stacking energy: -37.834
Base-Backbone interact. energy: -0.211
local terms energy: -55.725928
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -10.429
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: 2
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -91.908567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.908567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.908567 (E_RNA)
where:
Base-Base interactions energy: -51.092
where: short stacking energy: -18.374
Base-Backbone interact. energy: 0.110
local terms energy: -40.927168
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: 2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -247.966681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.966681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.966681 (E_RNA)
where:
Base-Base interactions energy: -172.943
where: short stacking energy: -78.678
Base-Backbone interact. energy: -1.161
local terms energy: -73.862690
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -20.244
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: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -243.491987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.491987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.491987 (E_RNA)
where:
Base-Base interactions energy: -166.292
where: short stacking energy: -75.940
Base-Backbone interact. energy: -1.458
local terms energy: -75.742013
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -236.334013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.334013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.334013 (E_RNA)
where:
Base-Base interactions energy: -162.685
where: short stacking energy: -75.263
Base-Backbone interact. energy: -0.166
local terms energy: -73.482876
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -236.121929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.121929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.121929 (E_RNA)
where:
Base-Base interactions energy: -163.140
where: short stacking energy: -75.436
Base-Backbone interact. energy: -1.049
local terms energy: -71.933249
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -237.742835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.742835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.742835 (E_RNA)
where:
Base-Base interactions energy: -170.276
where: short stacking energy: -66.039
Base-Backbone interact. energy: -0.196
local terms energy: -67.270750
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -11.616
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: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -218.641054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.641054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.641054 (E_RNA)
where:
Base-Base interactions energy: -149.620
where: short stacking energy: -61.805
Base-Backbone interact. energy: -0.346
local terms energy: -68.674836
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -223.721383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.721383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.721383 (E_RNA)
where:
Base-Base interactions energy: -153.070
where: short stacking energy: -64.674
Base-Backbone interact. energy: -0.011
local terms energy: -70.640533
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.926
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: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -195.257233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.257233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.257233 (E_RNA)
where:
Base-Base interactions energy: -130.073
where: short stacking energy: -49.740
Base-Backbone interact. energy: 0.901
local terms energy: -66.085345
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -10.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -104.962739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.962739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.962739 (E_RNA)
where:
Base-Base interactions energy: -56.610
where: short stacking energy: -34.084
Base-Backbone interact. energy: 0.188
local terms energy: -48.540717
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -6.962
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: 2
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -83.367016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367016 (E_RNA)
where:
Base-Base interactions energy: -33.113
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.082
local terms energy: -50.171541
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -6.879
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: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -250.406831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.406831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.406831 (E_RNA)
where:
Base-Base interactions energy: -172.266
where: short stacking energy: -79.799
Base-Backbone interact. energy: -0.550
local terms energy: -77.591001
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -23.099
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: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -240.598400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.598400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.598400 (E_RNA)
where:
Base-Base interactions energy: -169.251
where: short stacking energy: -80.254
Base-Backbone interact. energy: -0.158
local terms energy: -71.189179
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -240.634428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.634428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.634428 (E_RNA)
where:
Base-Base interactions energy: -167.702
where: short stacking energy: -76.713
Base-Backbone interact. energy: -0.013
local terms energy: -72.919031
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -230.171436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.171436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.171436 (E_RNA)
where:
Base-Base interactions energy: -164.026
where: short stacking energy: -69.835
Base-Backbone interact. energy: 0.185
local terms energy: -66.330937
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -226.060375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.060375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.060375 (E_RNA)
where:
Base-Base interactions energy: -160.827
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.560
local terms energy: -64.673554
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -16.730
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: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -223.828122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.828122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.828122 (E_RNA)
where:
Base-Base interactions energy: -157.484
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.003
local terms energy: -66.340426
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -17.029
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: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -209.673204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.673204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.673204 (E_RNA)
where:
Base-Base interactions energy: -141.227
where: short stacking energy: -59.094
Base-Backbone interact. energy: 0.554
local terms energy: -69.000023
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -11.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -223.638633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.638633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.638633 (E_RNA)
where:
Base-Base interactions energy: -151.683
where: short stacking energy: -67.405
Base-Backbone interact. energy: -0.692
local terms energy: -71.263982
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -110.947081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.947081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.947081 (E_RNA)
where:
Base-Base interactions energy: -69.471
where: short stacking energy: -23.267
Base-Backbone interact. energy: -0.263
local terms energy: -41.213477
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -2.616
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: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -70.725392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.725392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.725392 (E_RNA)
where:
Base-Base interactions energy: -29.712
where: short stacking energy: -25.530
Base-Backbone interact. energy: -0.287
local terms energy: -40.726602
where:
bonds (distance) C4'-P energy: -7.595
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -246.661074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.661074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.661074 (E_RNA)
where:
Base-Base interactions energy: -172.595
where: short stacking energy: -80.763
Base-Backbone interact. energy: -0.575
local terms energy: -73.491280
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -239.062157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.062157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.062157 (E_RNA)
where:
Base-Base interactions energy: -164.445
where: short stacking energy: -75.387
Base-Backbone interact. energy: -0.003
local terms energy: -74.614162
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -20.683
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: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -243.067841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.067841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.067841 (E_RNA)
where:
Base-Base interactions energy: -165.594
where: short stacking energy: -69.055
Base-Backbone interact. energy: -1.264
local terms energy: -76.209970
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -21.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -234.337862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.337862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.337862 (E_RNA)
where:
Base-Base interactions energy: -171.149
where: short stacking energy: -68.365
Base-Backbone interact. energy: -0.038
local terms energy: -63.151221
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -18.504
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: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -223.923051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.923051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.923051 (E_RNA)
where:
Base-Base interactions energy: -158.243
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.114
local terms energy: -65.565825
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -227.968140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.968140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.968140 (E_RNA)
where:
Base-Base interactions energy: -154.914
where: short stacking energy: -66.440
Base-Backbone interact. energy: -0.565
local terms energy: -72.489414
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -218.463575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.463575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.463575 (E_RNA)
where:
Base-Base interactions energy: -152.169
where: short stacking energy: -56.228
Base-Backbone interact. energy: -0.414
local terms energy: -65.881330
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -10.916
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: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -211.973931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.973931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.973931 (E_RNA)
where:
Base-Base interactions energy: -140.383
where: short stacking energy: -63.649
Base-Backbone interact. energy: 0.922
local terms energy: -72.512966
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -84.805293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805293 (E_RNA)
where:
Base-Base interactions energy: -32.388
where: short stacking energy: -32.388
Base-Backbone interact. energy: -0.029
local terms energy: -52.387890
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -8.308
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: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -73.980187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.980187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.980187 (E_RNA)
where:
Base-Base interactions energy: -28.050
where: short stacking energy: -18.899
Base-Backbone interact. energy: -0.221
local terms energy: -45.709295
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: 2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -243.839105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.839105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.839105 (E_RNA)
where:
Base-Base interactions energy: -166.184
where: short stacking energy: -70.382
Base-Backbone interact. energy: -0.002
local terms energy: -77.653462
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -18.931
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: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -247.022426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.022426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.022426 (E_RNA)
where:
Base-Base interactions energy: -168.362
where: short stacking energy: -76.228
Base-Backbone interact. energy: -0.858
local terms energy: -77.802202
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -232.543577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.543577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.543577 (E_RNA)
where:
Base-Base interactions energy: -163.499
where: short stacking energy: -75.150
Base-Backbone interact. energy: -0.002
local terms energy: -69.042471
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -17.154
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: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -240.204274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.204274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.204274 (E_RNA)
where:
Base-Base interactions energy: -169.208
where: short stacking energy: -66.236
Base-Backbone interact. energy: 0.498
local terms energy: -71.494384
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -12.436
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: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -224.709364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.709364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.709364 (E_RNA)
where:
Base-Base interactions energy: -156.515
where: short stacking energy: -66.889
Base-Backbone interact. energy: -0.131
local terms energy: -68.063429
where:
bonds (distance) C4'-P energy: -6.509
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -225.369086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.369086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.369086 (E_RNA)
where:
Base-Base interactions energy: -150.611
where: short stacking energy: -69.030
Base-Backbone interact. energy: -1.983
local terms energy: -72.775179
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -22.431
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: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -226.447387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.447387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.447387 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -71.290
Base-Backbone interact. energy: -0.001
local terms energy: -75.015251
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -18.613
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: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -207.162717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.162717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.162717 (E_RNA)
where:
Base-Base interactions energy: -144.425
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.028
local terms energy: -62.709302
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -9.495
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: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -76.819619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.819619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.819619 (E_RNA)
where:
Base-Base interactions energy: -33.209
where: short stacking energy: -24.225
Base-Backbone interact. energy: 0.553
local terms energy: -44.163518
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -74.087678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.087678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.087678 (E_RNA)
where:
Base-Base interactions energy: -26.687
where: short stacking energy: -25.959
Base-Backbone interact. energy: -0.148
local terms energy: -47.253142
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -7.319
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -3.426
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: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -243.356863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.356863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.356863 (E_RNA)
where:
Base-Base interactions energy: -166.796
where: short stacking energy: -69.427
Base-Backbone interact. energy: -0.210
local terms energy: -76.350954
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -243.734931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.734931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.734931 (E_RNA)
where:
Base-Base interactions energy: -167.902
where: short stacking energy: -78.026
Base-Backbone interact. energy: -0.149
local terms energy: -75.684128
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -19.837
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: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -235.506651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.506651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.506651 (E_RNA)
where:
Base-Base interactions energy: -165.912
where: short stacking energy: -70.962
Base-Backbone interact. energy: -0.005
local terms energy: -69.590020
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -236.449748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.449748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.449748 (E_RNA)
where:
Base-Base interactions energy: -163.718
where: short stacking energy: -70.409
Base-Backbone interact. energy: -0.759
local terms energy: -71.973371
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -18.273
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: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -232.162685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.162685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.162685 (E_RNA)
where:
Base-Base interactions energy: -160.617
where: short stacking energy: -70.719
Base-Backbone interact. energy: -0.009
local terms energy: -71.536505
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -229.633769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.633769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.633769 (E_RNA)
where:
Base-Base interactions energy: -152.994
where: short stacking energy: -78.746
Base-Backbone interact. energy: -0.639
local terms energy: -76.001365
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -223.875242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.875242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.875242 (E_RNA)
where:
Base-Base interactions energy: -159.066
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.003
local terms energy: -64.806565
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -84.765400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765400 (E_RNA)
where:
Base-Base interactions energy: -34.420
where: short stacking energy: -34.420
Base-Backbone interact. energy: -0.096
local terms energy: -50.249237
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -195.218842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.218842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.218842 (E_RNA)
where:
Base-Base interactions energy: -129.738
where: short stacking energy: -49.821
Base-Backbone interact. energy: -0.107
local terms energy: -65.373945
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -81.774881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.774881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.774881 (E_RNA)
where:
Base-Base interactions energy: -30.167
where: short stacking energy: -30.167
Base-Backbone interact. energy: -0.001
local terms energy: -51.607263
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -246.051540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.051540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.051540 (E_RNA)
where:
Base-Base interactions energy: -166.657
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.576
local terms energy: -78.817979
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -21.336
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: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -245.860831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.860831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.860831 (E_RNA)
where:
Base-Base interactions energy: -164.419
where: short stacking energy: -73.306
Base-Backbone interact. energy: -0.578
local terms energy: -80.863903
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -239.772237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.772237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.772237 (E_RNA)
where:
Base-Base interactions energy: -170.867
where: short stacking energy: -64.672
Base-Backbone interact. energy: -0.098
local terms energy: -68.806682
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -16.670
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: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -231.491786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.491786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.491786 (E_RNA)
where:
Base-Base interactions energy: -155.060
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.013
local terms energy: -76.418266
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -18.790
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: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -230.534928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.534928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.534928 (E_RNA)
where:
Base-Base interactions energy: -156.460
where: short stacking energy: -70.717
Base-Backbone interact. energy: -0.316
local terms energy: -73.758960
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -19.967
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: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -227.705410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.705410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.705410 (E_RNA)
where:
Base-Base interactions energy: -165.544
where: short stacking energy: -74.057
Base-Backbone interact. energy: -0.001
local terms energy: -62.160616
where:
bonds (distance) C4'-P energy: -6.781
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -9.991
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: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -218.951564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.951564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.951564 (E_RNA)
where:
Base-Base interactions energy: -156.548
where: short stacking energy: -66.232
Base-Backbone interact. energy: -0.016
local terms energy: -62.387707
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.462
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: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -93.166094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.166094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.166094 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -33.845
Base-Backbone interact. energy: -0.011
local terms energy: -54.626239
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -3.345
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: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -203.978203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.978203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.978203 (E_RNA)
where:
Base-Base interactions energy: -145.812
where: short stacking energy: -60.355
Base-Backbone interact. energy: -0.220
local terms energy: -57.945631
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -5.305
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: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -78.721315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.721315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.721315 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -29.632
Base-Backbone interact. energy: 0.506
local terms energy: -44.685743
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -242.368030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.368030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.368030 (E_RNA)
where:
Base-Base interactions energy: -168.822
where: short stacking energy: -72.374
Base-Backbone interact. energy: 1.928
local terms energy: -75.473601
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -21.406
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: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -247.227697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.227697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.227697 (E_RNA)
where:
Base-Base interactions energy: -167.170
where: short stacking energy: -76.489
Base-Backbone interact. energy: -0.377
local terms energy: -79.679951
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -240.637478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.637478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.637478 (E_RNA)
where:
Base-Base interactions energy: -162.588
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.007
local terms energy: -78.042693
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -239.077580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.077580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.077580 (E_RNA)
where:
Base-Base interactions energy: -167.995
where: short stacking energy: -77.577
Base-Backbone interact. energy: -0.000
local terms energy: -71.082058
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -239.074312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.074312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.074312 (E_RNA)
where:
Base-Base interactions energy: -167.930
where: short stacking energy: -75.710
Base-Backbone interact. energy: -0.001
local terms energy: -71.142967
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -231.274942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.274942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.274942 (E_RNA)
where:
Base-Base interactions energy: -157.032
where: short stacking energy: -78.171
Base-Backbone interact. energy: -0.001
local terms energy: -74.242677
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -218.290261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.290261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.290261 (E_RNA)
where:
Base-Base interactions energy: -158.017
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.280
local terms energy: -59.992936
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -7.242
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -8.532
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: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -210.325394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.325394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.325394 (E_RNA)
where:
Base-Base interactions energy: -145.059
where: short stacking energy: -58.938
Base-Backbone interact. energy: -0.019
local terms energy: -65.248018
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -10.451
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: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -82.182173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.182173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.182173 (E_RNA)
where:
Base-Base interactions energy: -37.832
where: short stacking energy: -37.832
Base-Backbone interact. energy: 1.793
local terms energy: -46.142586
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -1.729
tors. eta vs tors. theta energy: -12.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -75.217954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.217954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.217954 (E_RNA)
where:
Base-Base interactions energy: -23.097
where: short stacking energy: -21.032
Base-Backbone interact. energy: -0.295
local terms energy: -51.825541
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: 2.104
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: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -249.345579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.345579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.345579 (E_RNA)
where:
Base-Base interactions energy: -166.601
where: short stacking energy: -76.480
Base-Backbone interact. energy: -0.037
local terms energy: -82.707174
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -247.584235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.584235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.584235 (E_RNA)
where:
Base-Base interactions energy: -169.506
where: short stacking energy: -79.119
Base-Backbone interact. energy: 0.062
local terms energy: -78.140043
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -238.819322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.819322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.819322 (E_RNA)
where:
Base-Base interactions energy: -174.018
where: short stacking energy: -74.353
Base-Backbone interact. energy: -0.075
local terms energy: -64.726427
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -9.665
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: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -232.611916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.611916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.611916 (E_RNA)
where:
Base-Base interactions energy: -160.931
where: short stacking energy: -70.810
Base-Backbone interact. energy: -0.639
local terms energy: -71.041474
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -232.810551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.810551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.810551 (E_RNA)
where:
Base-Base interactions energy: -153.841
where: short stacking energy: -65.876
Base-Backbone interact. energy: -0.513
local terms energy: -78.456276
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -13.030
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: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -218.725417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.725417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.725417 (E_RNA)
where:
Base-Base interactions energy: -153.666
where: short stacking energy: -61.642
Base-Backbone interact. energy: 0.024
local terms energy: -65.083865
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -18.495
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: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -217.051257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.051257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.051257 (E_RNA)
where:
Base-Base interactions energy: -147.152
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.008
local terms energy: -69.891097
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.049
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: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -218.358020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.358020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.358020 (E_RNA)
where:
Base-Base interactions energy: -148.187
where: short stacking energy: -68.715
Base-Backbone interact. energy: -0.002
local terms energy: -70.168926
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -81.553832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.553832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.553832 (E_RNA)
where:
Base-Base interactions energy: -40.649
where: short stacking energy: -25.955
Base-Backbone interact. energy: 1.761
local terms energy: -42.666258
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -4.129
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -73.237952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.237952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.237952 (E_RNA)
where:
Base-Base interactions energy: -29.072
where: short stacking energy: -29.072
Base-Backbone interact. energy: -0.682
local terms energy: -43.483516
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -247.718546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.718546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.718546 (E_RNA)
where:
Base-Base interactions energy: -170.283
where: short stacking energy: -79.678
Base-Backbone interact. energy: -0.492
local terms energy: -76.943748
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -247.493288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.493288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.493288 (E_RNA)
where:
Base-Base interactions energy: -179.224
where: short stacking energy: -70.243
Base-Backbone interact. energy: -0.004
local terms energy: -68.264811
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -240.392638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.392638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.392638 (E_RNA)
where:
Base-Base interactions energy: -172.200
where: short stacking energy: -73.784
Base-Backbone interact. energy: -0.575
local terms energy: -67.617828
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -226.508232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.508232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.508232 (E_RNA)
where:
Base-Base interactions energy: -155.749
where: short stacking energy: -68.469
Base-Backbone interact. energy: -0.298
local terms energy: -70.461929
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -12.047
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: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -231.364679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.364679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.364679 (E_RNA)
where:
Base-Base interactions energy: -164.519
where: short stacking energy: -67.112
Base-Backbone interact. energy: -0.623
local terms energy: -66.223106
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -21.126
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: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -231.438895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.438895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.438895 (E_RNA)
where:
Base-Base interactions energy: -157.300
where: short stacking energy: -74.145
Base-Backbone interact. energy: -0.013
local terms energy: -74.125914
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -221.319776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.319776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.319776 (E_RNA)
where:
Base-Base interactions energy: -153.728
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.026
local terms energy: -67.564894
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -212.077485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.077485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.077485 (E_RNA)
where:
Base-Base interactions energy: -144.854
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.038
local terms energy: -67.185792
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -110.529025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.529025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.529025 (E_RNA)
where:
Base-Base interactions energy: -55.746
where: short stacking energy: -36.288
Base-Backbone interact. energy: -0.223
local terms energy: -54.560374
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -7.564
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: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -168.230653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.230653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.230653 (E_RNA)
where:
Base-Base interactions energy: -115.487
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.005
local terms energy: -52.739344
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -238.219957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.219957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.219957 (E_RNA)
where:
Base-Base interactions energy: -164.480
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.101
local terms energy: -73.639591
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -249.941862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.941862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.941862 (E_RNA)
where:
Base-Base interactions energy: -173.856
where: short stacking energy: -76.642
Base-Backbone interact. energy: -0.099
local terms energy: -75.986339
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -238.176703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.176703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.176703 (E_RNA)
where:
Base-Base interactions energy: -161.539
where: short stacking energy: -75.173
Base-Backbone interact. energy: -0.334
local terms energy: -76.304335
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -20.644
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: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -231.507867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.507867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.507867 (E_RNA)
where:
Base-Base interactions energy: -163.516
where: short stacking energy: -63.418
Base-Backbone interact. energy: -0.079
local terms energy: -67.912798
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -219.739039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.739039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.739039 (E_RNA)
where:
Base-Base interactions energy: -151.136
where: short stacking energy: -64.024
Base-Backbone interact. energy: -0.011
local terms energy: -68.592524
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -231.263408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.263408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.263408 (E_RNA)
where:
Base-Base interactions energy: -160.543
where: short stacking energy: -72.644
Base-Backbone interact. energy: -0.160
local terms energy: -70.560496
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -20.753
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: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -213.252434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.252434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.252434 (E_RNA)
where:
Base-Base interactions energy: -155.587
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.215
local terms energy: -57.450337
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -10.303
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: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -197.185585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.185585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.185585 (E_RNA)
where:
Base-Base interactions energy: -137.879
where: short stacking energy: -58.048
Base-Backbone interact. energy: -0.165
local terms energy: -59.141699
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -8.863
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: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -204.331889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.331889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.331889 (E_RNA)
where:
Base-Base interactions energy: -138.229
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.001
local terms energy: -66.101598
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -10.061
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -87.832584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.832584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.832584 (E_RNA)
where:
Base-Base interactions energy: -39.321
where: short stacking energy: -39.321
Base-Backbone interact. energy: -0.105
local terms energy: -48.406828
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -1.893
tors. eta vs tors. theta energy: -8.536
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: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -240.095687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.095687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.095687 (E_RNA)
where:
Base-Base interactions energy: -170.900
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.156
local terms energy: -69.039698
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -234.927639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.927639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.927639 (E_RNA)
where:
Base-Base interactions energy: -157.472
where: short stacking energy: -62.423
Base-Backbone interact. energy: -0.172
local terms energy: -77.283218
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -232.242026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.242026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.242026 (E_RNA)
where:
Base-Base interactions energy: -162.889
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.007
local terms energy: -69.346504
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -221.118317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.118317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.118317 (E_RNA)
where:
Base-Base interactions energy: -154.495
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.005
local terms energy: -66.618717
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -229.357253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.357253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.357253 (E_RNA)
where:
Base-Base interactions energy: -158.188
where: short stacking energy: -69.719
Base-Backbone interact. energy: -0.075
local terms energy: -71.094791
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.631
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -222.519797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.519797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.519797 (E_RNA)
where:
Base-Base interactions energy: -153.122
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.323
local terms energy: -69.074758
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -223.069551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.069551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.069551 (E_RNA)
where:
Base-Base interactions energy: -154.488
where: short stacking energy: -66.464
Base-Backbone interact. energy: -1.048
local terms energy: -67.533645
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -18.201
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: 147
Temperature: 1.250000
Total energy: -221.410842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.410842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.410842 (E_RNA)
where:
Base-Base interactions energy: -153.115
where: short stacking energy: -66.564
Base-Backbone interact. energy: -0.002
local terms energy: -68.294178
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -211.708879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.708879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.708879 (E_RNA)
where:
Base-Base interactions energy: -145.313
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.054
local terms energy: -66.341404
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -15.943
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: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -72.506482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.506482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.506482 (E_RNA)
where:
Base-Base interactions energy: -37.088
where: short stacking energy: -18.990
Base-Backbone interact. energy: -0.146
local terms energy: -35.271877
where:
bonds (distance) C4'-P energy: -4.953
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: 2.785
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: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -242.385377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.385377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.385377 (E_RNA)
where:
Base-Base interactions energy: -168.822
where: short stacking energy: -81.032
Base-Backbone interact. energy: -0.001
local terms energy: -73.562066
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -21.157
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: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -239.679383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.679383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.679383 (E_RNA)
where:
Base-Base interactions energy: -168.362
where: short stacking energy: -68.363
Base-Backbone interact. energy: -0.034
local terms energy: -71.283391
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -13.535
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: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -236.698283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.698283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.698283 (E_RNA)
where:
Base-Base interactions energy: -163.352
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.619
local terms energy: -72.726396
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -239.906834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.906834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.906834 (E_RNA)
where:
Base-Base interactions energy: -161.394
where: short stacking energy: -79.003
Base-Backbone interact. energy: -0.002
local terms energy: -78.511593
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -235.292706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.292706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.292706 (E_RNA)
where:
Base-Base interactions energy: -157.556
where: short stacking energy: -75.270
Base-Backbone interact. energy: -1.692
local terms energy: -76.044322
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -21.528
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: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -225.158350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.158350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.158350 (E_RNA)
where:
Base-Base interactions energy: -158.927
where: short stacking energy: -60.715
Base-Backbone interact. energy: -0.194
local terms energy: -66.037250
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -224.132480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.132480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.132480 (E_RNA)
where:
Base-Base interactions energy: -155.943
where: short stacking energy: -72.084
Base-Backbone interact. energy: -0.048
local terms energy: -68.141588
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -18.721
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: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -210.885198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.885198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.885198 (E_RNA)
where:
Base-Base interactions energy: -139.165
where: short stacking energy: -56.099
Base-Backbone interact. energy: -0.029
local terms energy: -71.690671
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -18.840
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: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -205.864203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.864203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.864203 (E_RNA)
where:
Base-Base interactions energy: -143.430
where: short stacking energy: -58.330
Base-Backbone interact. energy: -0.221
local terms energy: -62.212961
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -14.506
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: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -75.321272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.321272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.321272 (E_RNA)
where:
Base-Base interactions energy: -26.970
where: short stacking energy: -26.023
Base-Backbone interact. energy: -0.023
local terms energy: -48.328037
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -240.537472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.537472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.537472 (E_RNA)
where:
Base-Base interactions energy: -160.947
where: short stacking energy: -76.374
Base-Backbone interact. energy: -0.431
local terms energy: -79.159723
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -19.871
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: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -238.485221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.485221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.485221 (E_RNA)
where:
Base-Base interactions energy: -166.232
where: short stacking energy: -74.577
Base-Backbone interact. energy: -0.082
local terms energy: -72.172077
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -234.174567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.174567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.174567 (E_RNA)
where:
Base-Base interactions energy: -165.109
where: short stacking energy: -74.732
Base-Backbone interact. energy: -0.012
local terms energy: -69.053435
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -19.841
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: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -236.881631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.881631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.881631 (E_RNA)
where:
Base-Base interactions energy: -167.584
where: short stacking energy: -75.391
Base-Backbone interact. energy: -0.000
local terms energy: -69.296913
where:
bonds (distance) C4'-P energy: -8.142
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -226.606770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.606770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.606770 (E_RNA)
where:
Base-Base interactions energy: -155.919
where: short stacking energy: -67.631
Base-Backbone interact. energy: -0.167
local terms energy: -70.521549
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -8.830
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: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -231.426848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.426848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.426848 (E_RNA)
where:
Base-Base interactions energy: -154.734
where: short stacking energy: -67.427
Base-Backbone interact. energy: -0.064
local terms energy: -76.628791
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -21.183
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: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -222.158118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.158118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.158118 (E_RNA)
where:
Base-Base interactions energy: -161.120
where: short stacking energy: -72.271
Base-Backbone interact. energy: -0.002
local terms energy: -61.036505
where:
bonds (distance) C4'-P energy: -7.290
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -209.498810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.498810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.498810 (E_RNA)
where:
Base-Base interactions energy: -147.045
where: short stacking energy: -61.841
Base-Backbone interact. energy: 1.309
local terms energy: -63.762474
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.755
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: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -206.188689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.188689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.188689 (E_RNA)
where:
Base-Base interactions energy: -146.713
where: short stacking energy: -63.500
Base-Backbone interact. energy: -0.013
local terms energy: -59.462544
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -15.626
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: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -90.227046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.227046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.227046 (E_RNA)
where:
Base-Base interactions energy: -37.745
where: short stacking energy: -27.201
Base-Backbone interact. energy: -0.404
local terms energy: -52.078364
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -1.996
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: 150
Temperature: 0.900000
Total energy: -247.984300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.984300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.984300 (E_RNA)
where:
Base-Base interactions energy: -174.155
where: short stacking energy: -75.666
Base-Backbone interact. energy: -0.404
local terms energy: -73.424359
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -239.638602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.638602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.638602 (E_RNA)
where:
Base-Base interactions energy: -162.665
where: short stacking energy: -77.933
Base-Backbone interact. energy: -0.030
local terms energy: -76.943151
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -237.767083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.767083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.767083 (E_RNA)
where:
Base-Base interactions energy: -164.479
where: short stacking energy: -77.541
Base-Backbone interact. energy: -0.250
local terms energy: -73.037492
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -223.376987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.376987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.376987 (E_RNA)
where:
Base-Base interactions energy: -154.901
where: short stacking energy: -69.199
Base-Backbone interact. energy: -0.000
local terms energy: -68.475824
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -227.827103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.827103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.827103 (E_RNA)
where:
Base-Base interactions energy: -160.971
where: short stacking energy: -65.175
Base-Backbone interact. energy: -0.099
local terms energy: -66.756847
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -218.932077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.932077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.932077 (E_RNA)
where:
Base-Base interactions energy: -155.246
where: short stacking energy: -75.720
Base-Backbone interact. energy: -0.104
local terms energy: -63.581618
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -4.549
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -21.236
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: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -226.961598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.961598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.961598 (E_RNA)
where:
Base-Base interactions energy: -153.139
where: short stacking energy: -69.852
Base-Backbone interact. energy: -0.134
local terms energy: -73.688644
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -208.968691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.968691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.968691 (E_RNA)
where:
Base-Base interactions energy: -144.417
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.614
local terms energy: -63.937682
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -15.789
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: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -200.593477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.593477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.593477 (E_RNA)
where:
Base-Base interactions energy: -145.294
where: short stacking energy: -65.391
Base-Backbone interact. energy: -0.002
local terms energy: -55.297340
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -7.564
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: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -92.484875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.484875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.484875 (E_RNA)
where:
Base-Base interactions energy: -42.770
where: short stacking energy: -32.187
Base-Backbone interact. energy: -0.025
local terms energy: -49.690405
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -2.252
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: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -247.993046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.993046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.993046 (E_RNA)
where:
Base-Base interactions energy: -167.411
where: short stacking energy: -76.558
Base-Backbone interact. energy: -0.536
local terms energy: -80.045903
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -242.447910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.447910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.447910 (E_RNA)
where:
Base-Base interactions energy: -166.826
where: short stacking energy: -76.459
Base-Backbone interact. energy: 0.062
local terms energy: -75.683882
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -239.277132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.277132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.277132 (E_RNA)
where:
Base-Base interactions energy: -167.416
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.001
local terms energy: -71.860223
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -231.611171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.611171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.611171 (E_RNA)
where:
Base-Base interactions energy: -161.724
where: short stacking energy: -76.816
Base-Backbone interact. energy: 0.467
local terms energy: -70.353924
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -18.134
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: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -233.553906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.553906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.553906 (E_RNA)
where:
Base-Base interactions energy: -164.512
where: short stacking energy: -69.193
Base-Backbone interact. energy: -0.130
local terms energy: -68.911290
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -20.193
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: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -220.370547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.370547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.370547 (E_RNA)
where:
Base-Base interactions energy: -156.525
where: short stacking energy: -61.818
Base-Backbone interact. energy: -0.041
local terms energy: -63.804819
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -209.139951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.139951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.139951 (E_RNA)
where:
Base-Base interactions energy: -156.084
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.094
local terms energy: -52.961973
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -8.558
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: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -228.176909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.176909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.176909 (E_RNA)
where:
Base-Base interactions energy: -154.070
where: short stacking energy: -76.494
Base-Backbone interact. energy: -1.374
local terms energy: -72.733086
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -211.450377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.450377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.450377 (E_RNA)
where:
Base-Base interactions energy: -150.945
where: short stacking energy: -67.008
Base-Backbone interact. energy: -0.034
local terms energy: -60.470861
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -9.156
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -16.186
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: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -87.739484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739484 (E_RNA)
where:
Base-Base interactions energy: -41.665
where: short stacking energy: -22.129
Base-Backbone interact. energy: -0.200
local terms energy: -45.874665
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -249.001439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.001439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.001439 (E_RNA)
where:
Base-Base interactions energy: -169.131
where: short stacking energy: -71.512
Base-Backbone interact. energy: -0.164
local terms energy: -79.707188
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -243.972418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.972418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.972418 (E_RNA)
where:
Base-Base interactions energy: -166.188
where: short stacking energy: -75.597
Base-Backbone interact. energy: -0.644
local terms energy: -77.141289
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -239.050486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.050486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.050486 (E_RNA)
where:
Base-Base interactions energy: -166.105
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.013
local terms energy: -72.932290
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -231.683068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.683068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.683068 (E_RNA)
where:
Base-Base interactions energy: -161.834
where: short stacking energy: -71.582
Base-Backbone interact. energy: -1.085
local terms energy: -68.763804
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -21.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -237.229028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.229028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.229028 (E_RNA)
where:
Base-Base interactions energy: -167.513
where: short stacking energy: -76.547
Base-Backbone interact. energy: -0.056
local terms energy: -69.659918
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -226.179151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.179151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.179151 (E_RNA)
where:
Base-Base interactions energy: -153.485
where: short stacking energy: -69.440
Base-Backbone interact. energy: -0.029
local terms energy: -72.664827
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -19.886
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: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -219.798314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.798314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.798314 (E_RNA)
where:
Base-Base interactions energy: -159.739
where: short stacking energy: -67.924
Base-Backbone interact. energy: -0.281
local terms energy: -59.778560
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -13.114
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: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -207.079980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.079980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.079980 (E_RNA)
where:
Base-Base interactions energy: -144.325
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.002
local terms energy: -62.753226
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -19.342
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: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -207.055392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.055392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.055392 (E_RNA)
where:
Base-Base interactions energy: -145.776
where: short stacking energy: -63.329
Base-Backbone interact. energy: -0.126
local terms energy: -61.153861
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.780
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: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -82.015459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.015459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.015459 (E_RNA)
where:
Base-Base interactions energy: -35.491
where: short stacking energy: -29.348
Base-Backbone interact. energy: -0.264
local terms energy: -46.260587
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -5.490
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: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -248.787035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.787035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.787035 (E_RNA)
where:
Base-Base interactions energy: -174.349
where: short stacking energy: -63.340
Base-Backbone interact. energy: -0.104
local terms energy: -74.334110
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -18.821
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: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -250.227441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.227441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.227441 (E_RNA)
where:
Base-Base interactions energy: -167.977
where: short stacking energy: -78.519
Base-Backbone interact. energy: -0.026
local terms energy: -82.224914
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -22.712
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: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -237.203736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.203736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.203736 (E_RNA)
where:
Base-Base interactions energy: -165.264
where: short stacking energy: -70.306
Base-Backbone interact. energy: -0.000
local terms energy: -71.939191
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -19.665
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: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -231.985109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.985109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.985109 (E_RNA)
where:
Base-Base interactions energy: -163.167
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.068
local terms energy: -68.750417
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -233.212306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.212306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.212306 (E_RNA)
where:
Base-Base interactions energy: -161.173
where: short stacking energy: -73.305
Base-Backbone interact. energy: -0.012
local terms energy: -72.027585
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -216.250816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.250816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.250816 (E_RNA)
where:
Base-Base interactions energy: -157.406
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.658
local terms energy: -58.187002
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -11.491
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: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -222.578278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.578278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.578278 (E_RNA)
where:
Base-Base interactions energy: -156.744
where: short stacking energy: -72.737
Base-Backbone interact. energy: 0.151
local terms energy: -65.985569
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -9.218
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -205.945648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.945648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945648 (E_RNA)
where:
Base-Base interactions energy: -138.050
where: short stacking energy: -58.855
Base-Backbone interact. energy: -0.637
local terms energy: -67.258645
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -9.750
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: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -202.227369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.227369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.227369 (E_RNA)
where:
Base-Base interactions energy: -142.725
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.155
local terms energy: -59.347840
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -9.787
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: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -74.670277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.670277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.670277 (E_RNA)
where:
Base-Base interactions energy: -30.155
where: short stacking energy: -30.397
Base-Backbone interact. energy: -0.153
local terms energy: -44.362911
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -243.050608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.050608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.050608 (E_RNA)
where:
Base-Base interactions energy: -174.243
where: short stacking energy: -73.499
Base-Backbone interact. energy: -0.304
local terms energy: -68.503284
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -239.169072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.169072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.169072 (E_RNA)
where:
Base-Base interactions energy: -166.917
where: short stacking energy: -68.684
Base-Backbone interact. energy: -0.018
local terms energy: -72.234422
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -236.271140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.271140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.271140 (E_RNA)
where:
Base-Base interactions energy: -162.151
where: short stacking energy: -74.702
Base-Backbone interact. energy: -0.239
local terms energy: -73.880716
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -21.017
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: 154
Temperature: 1.050000
Total energy: -237.064476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.064476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.064476 (E_RNA)
where:
Base-Base interactions energy: -164.440
where: short stacking energy: -72.443
Base-Backbone interact. energy: -0.420
local terms energy: -72.204004
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -232.206586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.206586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.206586 (E_RNA)
where:
Base-Base interactions energy: -160.169
where: short stacking energy: -69.922
Base-Backbone interact. energy: -0.401
local terms energy: -71.636908
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -230.640116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.640116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.640116 (E_RNA)
where:
Base-Base interactions energy: -157.209
where: short stacking energy: -70.064
Base-Backbone interact. energy: -0.003
local terms energy: -73.428651
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -229.964623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.964623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.964623 (E_RNA)
where:
Base-Base interactions energy: -157.949
where: short stacking energy: -72.076
Base-Backbone interact. energy: -0.178
local terms energy: -71.837884
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -219.427852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.427852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.427852 (E_RNA)
where:
Base-Base interactions energy: -152.531
where: short stacking energy: -70.311
Base-Backbone interact. energy: -0.003
local terms energy: -66.894555
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -8.962
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: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -205.467726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.467726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.467726 (E_RNA)
where:
Base-Base interactions energy: -141.075
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.802
local terms energy: -63.590924
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -12.988
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: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -81.217342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.217342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.217342 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -19.720
Base-Backbone interact. energy: -1.901
local terms energy: -46.814765
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -2.796
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: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -248.129155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.129155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.129155 (E_RNA)
where:
Base-Base interactions energy: -171.767
where: short stacking energy: -81.058
Base-Backbone interact. energy: -0.001
local terms energy: -76.361222
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -243.861227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.861227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.861227 (E_RNA)
where:
Base-Base interactions energy: -172.481
where: short stacking energy: -77.643
Base-Backbone interact. energy: -1.237
local terms energy: -70.143949
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -18.650
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: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -237.141735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.141735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.141735 (E_RNA)
where:
Base-Base interactions energy: -161.197
where: short stacking energy: -77.381
Base-Backbone interact. energy: -0.012
local terms energy: -75.932755
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -228.376593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.376593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.376593 (E_RNA)
where:
Base-Base interactions energy: -159.468
where: short stacking energy: -61.969
Base-Backbone interact. energy: -0.047
local terms energy: -68.861769
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -16.310
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: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -235.571948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.571948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.571948 (E_RNA)
where:
Base-Base interactions energy: -162.628
where: short stacking energy: -77.740
Base-Backbone interact. energy: -1.281
local terms energy: -71.662686
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -223.463473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.463473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.463473 (E_RNA)
where:
Base-Base interactions energy: -153.064
where: short stacking energy: -69.405
Base-Backbone interact. energy: -0.404
local terms energy: -69.995335
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -215.549040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.549040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.549040 (E_RNA)
where:
Base-Base interactions energy: -151.518
where: short stacking energy: -59.878
Base-Backbone interact. energy: 0.054
local terms energy: -64.084417
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -220.647745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.647745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.647745 (E_RNA)
where:
Base-Base interactions energy: -148.170
where: short stacking energy: -68.545
Base-Backbone interact. energy: -0.001
local terms energy: -72.477559
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -19.931
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: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -207.206068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.206068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.206068 (E_RNA)
where:
Base-Base interactions energy: -139.900
where: short stacking energy: -58.240
Base-Backbone interact. energy: -0.002
local terms energy: -67.304734
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -11.368
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: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -91.426700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.426700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.426700 (E_RNA)
where:
Base-Base interactions energy: -37.025
where: short stacking energy: -23.307
Base-Backbone interact. energy: -0.311
local terms energy: -54.091111
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -9.106
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: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -242.996101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.996101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.996101 (E_RNA)
where:
Base-Base interactions energy: -162.521
where: short stacking energy: -73.453
Base-Backbone interact. energy: -0.102
local terms energy: -80.373088
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -247.322284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.322284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.322284 (E_RNA)
where:
Base-Base interactions energy: -166.292
where: short stacking energy: -78.009
Base-Backbone interact. energy: -0.625
local terms energy: -80.405203
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -244.004105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.004105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.004105 (E_RNA)
where:
Base-Base interactions energy: -165.591
where: short stacking energy: -68.556
Base-Backbone interact. energy: -0.563
local terms energy: -77.849948
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -235.698609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.698609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.698609 (E_RNA)
where:
Base-Base interactions energy: -163.204
where: short stacking energy: -72.265
Base-Backbone interact. energy: -1.560
local terms energy: -70.934881
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -20.873
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: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -246.497760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.497760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.497760 (E_RNA)
where:
Base-Base interactions energy: -170.553
where: short stacking energy: -82.485
Base-Backbone interact. energy: -0.021
local terms energy: -75.923751
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -20.128
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: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -220.920081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.920081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.920081 (E_RNA)
where:
Base-Base interactions energy: -148.143
where: short stacking energy: -61.355
Base-Backbone interact. energy: -0.051
local terms energy: -72.726510
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -17.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -217.201012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.201012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.201012 (E_RNA)
where:
Base-Base interactions energy: -157.024
where: short stacking energy: -69.064
Base-Backbone interact. energy: -0.002
local terms energy: -60.174779
where:
bonds (distance) C4'-P energy: -7.683
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -9.011
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: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -224.307299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.307299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.307299 (E_RNA)
where:
Base-Base interactions energy: -157.378
where: short stacking energy: -63.331
Base-Backbone interact. energy: -0.629
local terms energy: -66.300520
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -209.808430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.808430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.808430 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -60.118
Base-Backbone interact. energy: -0.312
local terms energy: -62.970621
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.508
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: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -75.222338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.222338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.222338 (E_RNA)
where:
Base-Base interactions energy: -29.996
where: short stacking energy: -21.157
Base-Backbone interact. energy: -0.313
local terms energy: -44.912866
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -3.879
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: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -249.988545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.988545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.988545 (E_RNA)
where:
Base-Base interactions energy: -168.997
where: short stacking energy: -79.553
Base-Backbone interact. energy: -0.002
local terms energy: -80.989949
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -242.363756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.363756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.363756 (E_RNA)
where:
Base-Base interactions energy: -163.123
where: short stacking energy: -71.330
Base-Backbone interact. energy: -0.002
local terms energy: -79.238942
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -21.692
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: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -239.345375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.345375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.345375 (E_RNA)
where:
Base-Base interactions energy: -163.837
where: short stacking energy: -77.380
Base-Backbone interact. energy: -0.134
local terms energy: -75.373582
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -20.018
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: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -235.122101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.122101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.122101 (E_RNA)
where:
Base-Base interactions energy: -161.261
where: short stacking energy: -74.059
Base-Backbone interact. energy: -0.002
local terms energy: -73.858224
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -18.530
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: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -230.755132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.755132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.755132 (E_RNA)
where:
Base-Base interactions energy: -157.953
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.001
local terms energy: -72.800696
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -230.234770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.234770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.234770 (E_RNA)
where:
Base-Base interactions energy: -157.190
where: short stacking energy: -75.680
Base-Backbone interact. energy: -0.049
local terms energy: -72.995709
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -227.667654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.667654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.667654 (E_RNA)
where:
Base-Base interactions energy: -160.283
where: short stacking energy: -71.362
Base-Backbone interact. energy: -0.042
local terms energy: -67.342911
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -17.572
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: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -223.297124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.297124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.297124 (E_RNA)
where:
Base-Base interactions energy: -152.964
where: short stacking energy: -73.126
Base-Backbone interact. energy: -0.594
local terms energy: -69.739081
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -206.505779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.505779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.505779 (E_RNA)
where:
Base-Base interactions energy: -140.166
where: short stacking energy: -59.942
Base-Backbone interact. energy: 1.125
local terms energy: -67.464418
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -10.179
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: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -73.049941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.049941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.049941 (E_RNA)
where:
Base-Base interactions energy: -18.702
where: short stacking energy: -18.941
Base-Backbone interact. energy: -0.165
local terms energy: -54.182803
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -249.405109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.405109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.405109 (E_RNA)
where:
Base-Base interactions energy: -170.194
where: short stacking energy: -73.493
Base-Backbone interact. energy: -0.579
local terms energy: -78.632225
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -243.034481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.034481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.034481 (E_RNA)
where:
Base-Base interactions energy: -162.916
where: short stacking energy: -77.999
Base-Backbone interact. energy: -0.133
local terms energy: -79.984958
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -237.597928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.597928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.597928 (E_RNA)
where:
Base-Base interactions energy: -165.211
where: short stacking energy: -68.914
Base-Backbone interact. energy: -0.269
local terms energy: -72.118756
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -20.241
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: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -227.350186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.350186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.350186 (E_RNA)
where:
Base-Base interactions energy: -157.263
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.002
local terms energy: -70.085280
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -229.608354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.608354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.608354 (E_RNA)
where:
Base-Base interactions energy: -158.312
where: short stacking energy: -69.613
Base-Backbone interact. energy: -0.001
local terms energy: -71.295676
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -20.866
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: 158
Temperature: 1.150000
Total energy: -235.159743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.159743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.159743 (E_RNA)
where:
Base-Base interactions energy: -159.662
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.511
local terms energy: -74.986757
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -20.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -214.097915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.097915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.097915 (E_RNA)
where:
Base-Base interactions energy: -152.786
where: short stacking energy: -69.073
Base-Backbone interact. energy: -0.038
local terms energy: -61.273834
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -7.602
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -214.474785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.474785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.474785 (E_RNA)
where:
Base-Base interactions energy: -148.105
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.652
local terms energy: -65.717992
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.044
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: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -146.417436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.417436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.417436 (E_RNA)
where:
Base-Base interactions energy: -81.862
where: short stacking energy: -37.111
Base-Backbone interact. energy: -1.148
local terms energy: -63.407852
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -94.031626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.031626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.031626 (E_RNA)
where:
Base-Base interactions energy: -55.235
where: short stacking energy: -30.122
Base-Backbone interact. energy: 1.377
local terms energy: -40.173817
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -3.539
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -4.668
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: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -240.617869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.617869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.617869 (E_RNA)
where:
Base-Base interactions energy: -161.384
where: short stacking energy: -68.825
Base-Backbone interact. energy: -0.990
local terms energy: -78.243542
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -250.085120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.085120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.085120 (E_RNA)
where:
Base-Base interactions energy: -170.125
where: short stacking energy: -81.636
Base-Backbone interact. energy: -0.221
local terms energy: -79.739303
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -237.810924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.810924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.810924 (E_RNA)
where:
Base-Base interactions energy: -165.446
where: short stacking energy: -70.106
Base-Backbone interact. energy: -0.628
local terms energy: -71.737411
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -234.305717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.305717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.305717 (E_RNA)
where:
Base-Base interactions energy: -162.968
where: short stacking energy: -77.145
Base-Backbone interact. energy: -0.584
local terms energy: -70.753820
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -237.304382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.304382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.304382 (E_RNA)
where:
Base-Base interactions energy: -167.559
where: short stacking energy: -65.803
Base-Backbone interact. energy: -0.046
local terms energy: -69.699863
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -11.234
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: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -217.977370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.977370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.977370 (E_RNA)
where:
Base-Base interactions energy: -152.970
where: short stacking energy: -67.927
Base-Backbone interact. energy: -0.240
local terms energy: -64.767750
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -12.915
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: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -216.562267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.562267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.562267 (E_RNA)
where:
Base-Base interactions energy: -144.796
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.003
local terms energy: -71.763200
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -221.723066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.723066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.723066 (E_RNA)
where:
Base-Base interactions energy: -149.076
where: short stacking energy: -64.515
Base-Backbone interact. energy: -0.310
local terms energy: -72.337457
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -19.620
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: 159
Temperature: 1.300000
Total energy: -80.470179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.470179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.470179 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -31.577
Base-Backbone interact. energy: -0.019
local terms energy: -48.874986
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -8.491
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: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -79.394025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.394025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.394025 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -29.894
Base-Backbone interact. energy: -0.198
local terms energy: -45.007657
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -8.414
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: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -241.364979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.364979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.364979 (E_RNA)
where:
Base-Base interactions energy: -168.439
where: short stacking energy: -81.898
Base-Backbone interact. energy: -0.438
local terms energy: -72.487844
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -20.328
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: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -238.414096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.414096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.414096 (E_RNA)
where:
Base-Base interactions energy: -163.475
where: short stacking energy: -78.970
Base-Backbone interact. energy: -0.041
local terms energy: -74.898302
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -238.658631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.658631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.658631 (E_RNA)
where:
Base-Base interactions energy: -161.719
where: short stacking energy: -72.407
Base-Backbone interact. energy: -1.593
local terms energy: -75.346376
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -233.180499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.180499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.180499 (E_RNA)
where:
Base-Base interactions energy: -158.986
where: short stacking energy: -66.989
Base-Backbone interact. energy: -1.011
local terms energy: -73.182991
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -11.556
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: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -230.807648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.807648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.807648 (E_RNA)
where:
Base-Base interactions energy: -155.603
where: short stacking energy: -70.170
Base-Backbone interact. energy: -0.558
local terms energy: -74.647248
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -224.411971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.411971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.411971 (E_RNA)
where:
Base-Base interactions energy: -159.936
where: short stacking energy: -76.267
Base-Backbone interact. energy: -0.152
local terms energy: -64.324127
where:
bonds (distance) C4'-P energy: -7.095
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -19.479
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: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -220.268660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.268660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.268660 (E_RNA)
where:
Base-Base interactions energy: -150.003
where: short stacking energy: -62.006
Base-Backbone interact. energy: 0.901
local terms energy: -71.167110
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -16.015
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: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -214.696066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.696066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.696066 (E_RNA)
where:
Base-Base interactions energy: -143.692
where: short stacking energy: -63.060
Base-Backbone interact. energy: -0.040
local terms energy: -70.964650
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -84.538632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.538632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.538632 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -30.804
Base-Backbone interact. energy: -0.106
local terms energy: -53.628413
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -8.991
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -8.076
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: 160
Temperature: 1.350000
Total energy: -79.329325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.329325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.329325 (E_RNA)
where:
Base-Base interactions energy: -40.997
where: short stacking energy: -31.457
Base-Backbone interact. energy: -0.009
local terms energy: -38.323179
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -243.730047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.730047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.730047 (E_RNA)
where:
Base-Base interactions energy: -167.581
where: short stacking energy: -76.630
Base-Backbone interact. energy: -0.002
local terms energy: -76.147908
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -231.231163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.231163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.231163 (E_RNA)
where:
Base-Base interactions energy: -159.590
where: short stacking energy: -72.930
Base-Backbone interact. energy: -0.011
local terms energy: -71.630261
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -231.825106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.825106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.825106 (E_RNA)
where:
Base-Base interactions energy: -158.669
where: short stacking energy: -76.726
Base-Backbone interact. energy: -0.070
local terms energy: -73.085512
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -236.239161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.239161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.239161 (E_RNA)
where:
Base-Base interactions energy: -166.442
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.123
local terms energy: -69.674031
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -215.047082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.047082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.047082 (E_RNA)
where:
Base-Base interactions energy: -146.532
where: short stacking energy: -67.801
Base-Backbone interact. energy: -0.593
local terms energy: -67.921762
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -220.191142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.191142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.191142 (E_RNA)
where:
Base-Base interactions energy: -152.432
where: short stacking energy: -69.061
Base-Backbone interact. energy: -0.563
local terms energy: -67.196386
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -218.961326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.961326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.961326 (E_RNA)
where:
Base-Base interactions energy: -155.496
where: short stacking energy: -68.755
Base-Backbone interact. energy: -0.000
local terms energy: -63.464962
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -5.599
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -209.477989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.477989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.477989 (E_RNA)
where:
Base-Base interactions energy: -147.075
where: short stacking energy: -63.703
Base-Backbone interact. energy: -0.643
local terms energy: -61.759764
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -7.502
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: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -79.355910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.355910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.355910 (E_RNA)
where:
Base-Base interactions energy: -30.777
where: short stacking energy: -30.777
Base-Backbone interact. energy: 0.738
local terms energy: -49.316635
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -86.473113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.473113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.473113 (E_RNA)
where:
Base-Base interactions energy: -39.642
where: short stacking energy: -13.539
Base-Backbone interact. energy: -0.274
local terms energy: -46.556903
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -249.564050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.564050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.564050 (E_RNA)
where:
Base-Base interactions energy: -172.025
where: short stacking energy: -81.811
Base-Backbone interact. energy: -0.015
local terms energy: -77.524480
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -18.504
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: 162
Temperature: 0.950000
Total energy: -248.153175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.153175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.153175 (E_RNA)
where:
Base-Base interactions energy: -166.818
where: short stacking energy: -80.975
Base-Backbone interact. energy: -0.542
local terms energy: -80.792837
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -22.572
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: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -245.975073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.975073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.975073 (E_RNA)
where:
Base-Base interactions energy: -169.400
where: short stacking energy: -76.449
Base-Backbone interact. energy: -0.001
local terms energy: -76.574704
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -232.613873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.613873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.613873 (E_RNA)
where:
Base-Base interactions energy: -168.344
where: short stacking energy: -70.156
Base-Backbone interact. energy: 1.623
local terms energy: -65.892631
where:
bonds (distance) C4'-P energy: -8.039
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -239.518008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.518008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.518008 (E_RNA)
where:
Base-Base interactions energy: -166.711
where: short stacking energy: -76.217
Base-Backbone interact. energy: -0.748
local terms energy: -72.058455
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -228.906866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.906866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.906866 (E_RNA)
where:
Base-Base interactions energy: -162.442
where: short stacking energy: -67.167
Base-Backbone interact. energy: -0.001
local terms energy: -66.463841
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -228.486493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.486493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.486493 (E_RNA)
where:
Base-Base interactions energy: -159.149
where: short stacking energy: -75.354
Base-Backbone interact. energy: -0.000
local terms energy: -69.336799
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -210.988418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.988418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.988418 (E_RNA)
where:
Base-Base interactions energy: -150.332
where: short stacking energy: -65.082
Base-Backbone interact. energy: -0.453
local terms energy: -60.203020
where:
bonds (distance) C4'-P energy: -8.197
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -77.320065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.320065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.320065 (E_RNA)
where:
Base-Base interactions energy: -37.108
where: short stacking energy: -28.814
Base-Backbone interact. energy: -0.049
local terms energy: -40.163499
where:
bonds (distance) C4'-P energy: -7.630
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -78.109891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.109891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.109891 (E_RNA)
where:
Base-Base interactions energy: -25.486
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.078
local terms energy: -52.546345
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -4.489
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: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -244.370900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.370900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.370900 (E_RNA)
where:
Base-Base interactions energy: -169.548
where: short stacking energy: -78.982
Base-Backbone interact. energy: -0.001
local terms energy: -74.821388
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -237.314828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.314828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.314828 (E_RNA)
where:
Base-Base interactions energy: -165.754
where: short stacking energy: -69.426
Base-Backbone interact. energy: -0.259
local terms energy: -71.302062
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -19.547
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: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -240.685623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.685623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.685623 (E_RNA)
where:
Base-Base interactions energy: -165.876
where: short stacking energy: -74.397
Base-Backbone interact. energy: -0.225
local terms energy: -74.584677
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -19.001
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: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -236.362363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.362363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.362363 (E_RNA)
where:
Base-Base interactions energy: -171.821
where: short stacking energy: -70.555
Base-Backbone interact. energy: -0.491
local terms energy: -64.050300
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -226.015823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.015823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.015823 (E_RNA)
where:
Base-Base interactions energy: -165.976
where: short stacking energy: -64.431
Base-Backbone interact. energy: -0.610
local terms energy: -59.430036
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -9.926
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -14.349
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: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -233.133383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.133383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.133383 (E_RNA)
where:
Base-Base interactions energy: -157.970
where: short stacking energy: -70.040
Base-Backbone interact. energy: -1.064
local terms energy: -74.099264
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -229.672521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.672521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.672521 (E_RNA)
where:
Base-Base interactions energy: -158.959
where: short stacking energy: -72.535
Base-Backbone interact. energy: -0.239
local terms energy: -70.474846
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -216.491462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.491462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.491462 (E_RNA)
where:
Base-Base interactions energy: -152.774
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.606
local terms energy: -63.110933
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -85.836764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.836764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.836764 (E_RNA)
where:
Base-Base interactions energy: -32.736
where: short stacking energy: -32.665
Base-Backbone interact. energy: -0.064
local terms energy: -53.037324
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -5.327
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: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -98.081164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.081164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.081164 (E_RNA)
where:
Base-Base interactions energy: -45.257
where: short stacking energy: -24.398
Base-Backbone interact. energy: -0.165
local terms energy: -52.659083
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -246.108892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.108892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.108892 (E_RNA)
where:
Base-Base interactions energy: -170.785
where: short stacking energy: -78.145
Base-Backbone interact. energy: -0.000
local terms energy: -75.323907
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -241.626885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.626885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.626885 (E_RNA)
where:
Base-Base interactions energy: -165.191
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.124
local terms energy: -76.311605
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -239.306062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.306062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.306062 (E_RNA)
where:
Base-Base interactions energy: -162.541
where: short stacking energy: -74.297
Base-Backbone interact. energy: 0.346
local terms energy: -77.111393
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -230.922311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.922311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.922311 (E_RNA)
where:
Base-Base interactions energy: -158.617
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.313
local terms energy: -71.992201
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -233.391091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.391091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.391091 (E_RNA)
where:
Base-Base interactions energy: -164.600
where: short stacking energy: -71.173
Base-Backbone interact. energy: -0.420
local terms energy: -68.370600
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -8.552
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: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -224.352545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.352545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.352545 (E_RNA)
where:
Base-Base interactions energy: -153.626
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.042
local terms energy: -70.684633
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -225.077746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.077746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.077746 (E_RNA)
where:
Base-Base interactions energy: -152.682
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.003
local terms energy: -72.392567
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.605
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: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -213.603767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.603767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.603767 (E_RNA)
where:
Base-Base interactions energy: -157.578
where: short stacking energy: -60.969
Base-Backbone interact. energy: -0.175
local terms energy: -55.850650
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -4.128
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: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -109.241318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.241318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.241318 (E_RNA)
where:
Base-Base interactions energy: -64.832
where: short stacking energy: -30.942
Base-Backbone interact. energy: -0.551
local terms energy: -43.858266
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -4.327
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: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -79.514499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.514499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.514499 (E_RNA)
where:
Base-Base interactions energy: -32.355
where: short stacking energy: -30.373
Base-Backbone interact. energy: 2.427
local terms energy: -49.586580
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -248.761333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.761333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.761333 (E_RNA)
where:
Base-Base interactions energy: -172.811
where: short stacking energy: -77.027
Base-Backbone interact. energy: -0.042
local terms energy: -75.907832
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -243.104484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.104484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.104484 (E_RNA)
where:
Base-Base interactions energy: -164.478
where: short stacking energy: -81.497
Base-Backbone interact. energy: -0.041
local terms energy: -78.585512
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -242.616534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.616534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.616534 (E_RNA)
where:
Base-Base interactions energy: -168.334
where: short stacking energy: -77.050
Base-Backbone interact. energy: -1.320
local terms energy: -72.962017
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -228.548396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.548396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.548396 (E_RNA)
where:
Base-Base interactions energy: -159.823
where: short stacking energy: -64.963
Base-Backbone interact. energy: -0.316
local terms energy: -68.410232
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -12.333
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: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -227.316186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.316186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.316186 (E_RNA)
where:
Base-Base interactions energy: -158.480
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.243
local terms energy: -68.593296
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.490
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: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -229.050598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.050598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.050598 (E_RNA)
where:
Base-Base interactions energy: -154.269
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.000
local terms energy: -74.781260
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -212.744459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.744459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.744459 (E_RNA)
where:
Base-Base interactions energy: -143.064
where: short stacking energy: -54.030
Base-Backbone interact. energy: -0.292
local terms energy: -69.389257
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -225.312408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.312408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.312408 (E_RNA)
where:
Base-Base interactions energy: -148.110
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.050
local terms energy: -77.152414
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -95.064113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.064113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.064113 (E_RNA)
where:
Base-Base interactions energy: -45.804
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.132
local terms energy: -49.127676
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -7.367
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -6.726
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: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -80.021154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.021154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.021154 (E_RNA)
where:
Base-Base interactions energy: -31.103
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.149
local terms energy: -48.768438
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -7.186
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -242.247847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.247847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.247847 (E_RNA)
where:
Base-Base interactions energy: -170.867
where: short stacking energy: -75.952
Base-Backbone interact. energy: -0.001
local terms energy: -71.379646
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -245.269215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.269215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.269215 (E_RNA)
where:
Base-Base interactions energy: -168.811
where: short stacking energy: -77.755
Base-Backbone interact. energy: -0.472
local terms energy: -75.985945
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -22.527
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: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -236.469765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.469765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.469765 (E_RNA)
where:
Base-Base interactions energy: -165.419
where: short stacking energy: -67.027
Base-Backbone interact. energy: -0.036
local terms energy: -71.014199
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -15.869
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: 166
Temperature: 1.050000
Total energy: -236.376341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.376341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.376341 (E_RNA)
where:
Base-Base interactions energy: -164.446
where: short stacking energy: -65.353
Base-Backbone interact. energy: -0.271
local terms energy: -71.658725
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -234.667730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.667730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.667730 (E_RNA)
where:
Base-Base interactions energy: -166.385
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.239
local terms energy: -68.043030
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -7.741
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: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -232.774753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.774753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.774753 (E_RNA)
where:
Base-Base interactions energy: -164.331
where: short stacking energy: -74.317
Base-Backbone interact. energy: -0.257
local terms energy: -68.186589
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -226.462516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.462516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.462516 (E_RNA)
where:
Base-Base interactions energy: -159.291
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.202
local terms energy: -66.970377
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -17.445
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: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -219.986709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.986709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.986709 (E_RNA)
where:
Base-Base interactions energy: -163.725
where: short stacking energy: -64.221
Base-Backbone interact. energy: -0.077
local terms energy: -56.184722
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -78.767608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.767608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.767608 (E_RNA)
where:
Base-Base interactions energy: -28.159
where: short stacking energy: -23.943
Base-Backbone interact. energy: -0.062
local terms energy: -50.546730
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: 0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -81.633797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.633797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.633797 (E_RNA)
where:
Base-Base interactions energy: -37.053
where: short stacking energy: -36.863
Base-Backbone interact. energy: -0.181
local terms energy: -44.399999
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -242.022692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.022692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.022692 (E_RNA)
where:
Base-Base interactions energy: -167.091
where: short stacking energy: -79.302
Base-Backbone interact. energy: -0.122
local terms energy: -74.809219
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -241.578037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.578037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.578037 (E_RNA)
where:
Base-Base interactions energy: -168.331
where: short stacking energy: -79.128
Base-Backbone interact. energy: -0.063
local terms energy: -73.184266
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -239.088101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.088101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.088101 (E_RNA)
where:
Base-Base interactions energy: -164.001
where: short stacking energy: -74.646
Base-Backbone interact. energy: -0.156
local terms energy: -74.931617
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -231.307256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.307256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.307256 (E_RNA)
where:
Base-Base interactions energy: -160.654
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.531
local terms energy: -70.122509
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -233.695785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.695785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.695785 (E_RNA)
where:
Base-Base interactions energy: -162.780
where: short stacking energy: -69.608
Base-Backbone interact. energy: -1.229
local terms energy: -69.687002
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -13.061
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: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -216.219216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.219216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.219216 (E_RNA)
where:
Base-Base interactions energy: -147.435
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.648
local terms energy: -68.135901
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -12.724
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: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -213.331852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.331852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.331852 (E_RNA)
where:
Base-Base interactions energy: -144.857
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.015
local terms energy: -68.459235
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -218.150211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.150211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.150211 (E_RNA)
where:
Base-Base interactions energy: -146.356
where: short stacking energy: -53.520
Base-Backbone interact. energy: -0.644
local terms energy: -71.150574
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -19.563
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: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -77.624006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.624006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.624006 (E_RNA)
where:
Base-Base interactions energy: -33.505
where: short stacking energy: -33.113
Base-Backbone interact. energy: -0.114
local terms energy: -44.004532
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -6.422
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -86.312157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.312157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.312157 (E_RNA)
where:
Base-Base interactions energy: -42.205
where: short stacking energy: -29.054
Base-Backbone interact. energy: -0.205
local terms energy: -43.902771
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -248.391082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.391082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.391082 (E_RNA)
where:
Base-Base interactions energy: -170.721
where: short stacking energy: -82.888
Base-Backbone interact. energy: -0.006
local terms energy: -77.664131
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -19.838
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: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -242.863178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.863178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.863178 (E_RNA)
where:
Base-Base interactions energy: -165.752
where: short stacking energy: -75.218
Base-Backbone interact. energy: -0.240
local terms energy: -76.870894
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -19.065
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: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -243.316802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.316802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.316802 (E_RNA)
where:
Base-Base interactions energy: -170.429
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.178
local terms energy: -72.709490
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -20.679
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: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -239.237156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.237156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.237156 (E_RNA)
where:
Base-Base interactions energy: -162.260
where: short stacking energy: -69.718
Base-Backbone interact. energy: -1.202
local terms energy: -75.775686
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -230.276771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.276771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.276771 (E_RNA)
where:
Base-Base interactions energy: -156.772
where: short stacking energy: -69.375
Base-Backbone interact. energy: -0.002
local terms energy: -73.502295
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -20.473
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: 168
Temperature: 1.150000
Total energy: -226.663083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.663083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.663083 (E_RNA)
where:
Base-Base interactions energy: -159.184
where: short stacking energy: -59.296
Base-Backbone interact. energy: -0.013
local terms energy: -67.465674
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -222.448454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.448454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.448454 (E_RNA)
where:
Base-Base interactions energy: -152.331
where: short stacking energy: -67.849
Base-Backbone interact. energy: -0.293
local terms energy: -69.824703
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -213.103994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.103994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.103994 (E_RNA)
where:
Base-Base interactions energy: -143.766
where: short stacking energy: -60.040
Base-Backbone interact. energy: -0.051
local terms energy: -69.286914
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -86.822299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.822299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.822299 (E_RNA)
where:
Base-Base interactions energy: -40.402
where: short stacking energy: -31.846
Base-Backbone interact. energy: -0.136
local terms energy: -46.284286
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -82.839136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.839136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.839136 (E_RNA)
where:
Base-Base interactions energy: -38.055
where: short stacking energy: -24.002
Base-Backbone interact. energy: -0.226
local terms energy: -44.557313
where:
bonds (distance) C4'-P energy: -8.423
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: 0.103
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: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -242.804028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.804028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.804028 (E_RNA)
where:
Base-Base interactions energy: -162.438
where: short stacking energy: -75.335
Base-Backbone interact. energy: -0.794
local terms energy: -79.572110
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -242.507176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.507176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.507176 (E_RNA)
where:
Base-Base interactions energy: -167.557
where: short stacking energy: -70.852
Base-Backbone interact. energy: -0.001
local terms energy: -74.948817
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -19.945
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: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -243.212165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.212165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.212165 (E_RNA)
where:
Base-Base interactions energy: -170.690
where: short stacking energy: -68.907
Base-Backbone interact. energy: -0.181
local terms energy: -72.341293
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -13.238
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: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -230.510458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.510458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.510458 (E_RNA)
where:
Base-Base interactions energy: -158.782
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.011
local terms energy: -71.717893
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -17.503
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: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -230.750780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.750780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.750780 (E_RNA)
where:
Base-Base interactions energy: -164.086
where: short stacking energy: -67.658
Base-Backbone interact. energy: -0.013
local terms energy: -66.651374
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -230.533336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.533336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.533336 (E_RNA)
where:
Base-Base interactions energy: -168.035
where: short stacking energy: -74.034
Base-Backbone interact. energy: -0.321
local terms energy: -62.176821
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -22.252
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: 169
Temperature: 1.200000
Total energy: -223.010061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.010061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.010061 (E_RNA)
where:
Base-Base interactions energy: -164.039
where: short stacking energy: -67.698
Base-Backbone interact. energy: -0.011
local terms energy: -58.960355
where:
bonds (distance) C4'-P energy: -8.736
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -217.765289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.765289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.765289 (E_RNA)
where:
Base-Base interactions energy: -151.799
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.029
local terms energy: -65.937074
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -19.863
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: 169
Temperature: 1.300000
Total energy: -76.168257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.168257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.168257 (E_RNA)
where:
Base-Base interactions energy: -34.624
where: short stacking energy: -34.624
Base-Backbone interact. energy: 0.612
local terms energy: -42.156565
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -79.313288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.313288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.313288 (E_RNA)
where:
Base-Base interactions energy: -29.921
where: short stacking energy: -21.778
Base-Backbone interact. energy: -1.035
local terms energy: -48.357467
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -11.352
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: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -249.345966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.345966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.345966 (E_RNA)
where:
Base-Base interactions energy: -173.279
where: short stacking energy: -84.491
Base-Backbone interact. energy: -0.578
local terms energy: -75.488096
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -243.085109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.085109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.085109 (E_RNA)
where:
Base-Base interactions energy: -168.562
where: short stacking energy: -82.331
Base-Backbone interact. energy: 1.228
local terms energy: -75.750315
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -18.317
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: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -234.904859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.904859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.904859 (E_RNA)
where:
Base-Base interactions energy: -160.871
where: short stacking energy: -66.007
Base-Backbone interact. energy: -0.443
local terms energy: -73.590609
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -237.187267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.187267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.187267 (E_RNA)
where:
Base-Base interactions energy: -165.832
where: short stacking energy: -72.334
Base-Backbone interact. energy: -0.662
local terms energy: -70.693651
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -227.792074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.792074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.792074 (E_RNA)
where:
Base-Base interactions energy: -159.032
where: short stacking energy: -66.804
Base-Backbone interact. energy: -0.735
local terms energy: -68.025566
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -10.563
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: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -229.229229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.229229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.229229 (E_RNA)
where:
Base-Base interactions energy: -162.334
where: short stacking energy: -79.416
Base-Backbone interact. energy: -0.077
local terms energy: -66.818083
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -17.433
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: 170
Temperature: 1.200000
Total energy: -230.602667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.602667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.602667 (E_RNA)
where:
Base-Base interactions energy: -156.150
where: short stacking energy: -68.956
Base-Backbone interact. energy: -0.073
local terms energy: -74.379518
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -204.911799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.911799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.911799 (E_RNA)
where:
Base-Base interactions energy: -137.032
where: short stacking energy: -55.725
Base-Backbone interact. energy: -0.045
local terms energy: -67.835346
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -10.032
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: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -83.423602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.423602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.423602 (E_RNA)
where:
Base-Base interactions energy: -29.621
where: short stacking energy: -29.621
Base-Backbone interact. energy: -0.093
local terms energy: -53.709308
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -74.397787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.397787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.397787 (E_RNA)
where:
Base-Base interactions energy: -33.333
where: short stacking energy: -33.333
Base-Backbone interact. energy: 0.305
local terms energy: -41.370064
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -0.813
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: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -249.226851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.226851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.226851 (E_RNA)
where:
Base-Base interactions energy: -175.946
where: short stacking energy: -82.344
Base-Backbone interact. energy: -0.181
local terms energy: -73.099182
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -238.816122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.816122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.816122 (E_RNA)
where:
Base-Base interactions energy: -165.044
where: short stacking energy: -70.822
Base-Backbone interact. energy: -0.009
local terms energy: -73.763011
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -19.169
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: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -240.251474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.251474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.251474 (E_RNA)
where:
Base-Base interactions energy: -168.644
where: short stacking energy: -76.120
Base-Backbone interact. energy: -0.002
local terms energy: -71.605586
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -235.758327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.758327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.758327 (E_RNA)
where:
Base-Base interactions energy: -159.259
where: short stacking energy: -74.076
Base-Backbone interact. energy: -0.003
local terms energy: -76.497082
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -18.426
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: 171
Temperature: 1.100000
Total energy: -223.848843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.848843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.848843 (E_RNA)
where:
Base-Base interactions energy: -155.960
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.365
local terms energy: -67.524615
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -18.972
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: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -227.872779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.872779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.872779 (E_RNA)
where:
Base-Base interactions energy: -157.258
where: short stacking energy: -73.352
Base-Backbone interact. energy: -0.063
local terms energy: -70.551762
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -221.039019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.039019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.039019 (E_RNA)
where:
Base-Base interactions energy: -159.164
where: short stacking energy: -68.198
Base-Backbone interact. energy: -0.028
local terms energy: -61.847103
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -9.504
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -207.528589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.528589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.528589 (E_RNA)
where:
Base-Base interactions energy: -147.502
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.033
local terms energy: -59.993781
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -76.498911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.498911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.498911 (E_RNA)
where:
Base-Base interactions energy: -26.425
where: short stacking energy: -25.184
Base-Backbone interact. energy: -0.121
local terms energy: -49.953179
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -0.917
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: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -82.717116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.717116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.717116 (E_RNA)
where:
Base-Base interactions energy: -37.201
where: short stacking energy: -32.564
Base-Backbone interact. energy: 1.655
local terms energy: -47.170642
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -243.791606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.791606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.791606 (E_RNA)
where:
Base-Base interactions energy: -173.325
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.010
local terms energy: -70.455884
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -20.380
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: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -242.105801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.105801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.105801 (E_RNA)
where:
Base-Base interactions energy: -163.435
where: short stacking energy: -76.809
Base-Backbone interact. energy: -0.293
local terms energy: -78.376838
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -246.569983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.569983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.569983 (E_RNA)
where:
Base-Base interactions energy: -165.981
where: short stacking energy: -76.991
Base-Backbone interact. energy: -0.995
local terms energy: -79.593613
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -21.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -239.908012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.908012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.908012 (E_RNA)
where:
Base-Base interactions energy: -166.746
where: short stacking energy: -76.619
Base-Backbone interact. energy: -0.183
local terms energy: -72.978553
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -240.120464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.120464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.120464 (E_RNA)
where:
Base-Base interactions energy: -163.092
where: short stacking energy: -72.592
Base-Backbone interact. energy: -0.297
local terms energy: -76.732244
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -20.032
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: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -218.816188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.816188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.816188 (E_RNA)
where:
Base-Base interactions energy: -149.913
where: short stacking energy: -63.626
Base-Backbone interact. energy: -0.128
local terms energy: -68.774847
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.817
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: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -222.248118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.248118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.248118 (E_RNA)
where:
Base-Base interactions energy: -155.857
where: short stacking energy: -70.325
Base-Backbone interact. energy: -0.329
local terms energy: -66.062430
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -17.379
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: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -218.116787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.116787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.116787 (E_RNA)
where:
Base-Base interactions energy: -148.473
where: short stacking energy: -60.302
Base-Backbone interact. energy: -0.575
local terms energy: -69.068681
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -12.966
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: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -100.283101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.283101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.283101 (E_RNA)
where:
Base-Base interactions energy: -54.551
where: short stacking energy: -34.112
Base-Backbone interact. energy: -0.450
local terms energy: -45.282145
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -2.544
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: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -80.866180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.866180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.866180 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -32.273
Base-Backbone interact. energy: -0.101
local terms energy: -48.491984
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -247.185432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.185432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.185432 (E_RNA)
where:
Base-Base interactions energy: -177.808
where: short stacking energy: -72.573
Base-Backbone interact. energy: -0.084
local terms energy: -69.293473
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -17.133
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: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -250.162975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.162975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.162975 (E_RNA)
where:
Base-Base interactions energy: -166.883
where: short stacking energy: -75.975
Base-Backbone interact. energy: -0.456
local terms energy: -82.823885
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -22.018
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: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -232.370413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.370413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.370413 (E_RNA)
where:
Base-Base interactions energy: -161.966
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.100
local terms energy: -70.305103
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -232.345164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.345164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.345164 (E_RNA)
where:
Base-Base interactions energy: -160.482
where: short stacking energy: -70.623
Base-Backbone interact. energy: -0.024
local terms energy: -71.838760
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -223.909360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.909360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.909360 (E_RNA)
where:
Base-Base interactions energy: -153.310
where: short stacking energy: -63.628
Base-Backbone interact. energy: -0.014
local terms energy: -70.585789
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -16.533
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: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -226.728959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.728959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.728959 (E_RNA)
where:
Base-Base interactions energy: -156.656
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.002
local terms energy: -70.071045
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -235.507092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.507092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.507092 (E_RNA)
where:
Base-Base interactions energy: -171.115
where: short stacking energy: -63.827
Base-Backbone interact. energy: -0.193
local terms energy: -64.198719
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -213.573057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.573057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.573057 (E_RNA)
where:
Base-Base interactions energy: -147.398
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.237
local terms energy: -65.937781
where:
bonds (distance) C4'-P energy: -7.840
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -79.589308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.589308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.589308 (E_RNA)
where:
Base-Base interactions energy: -28.650
where: short stacking energy: -28.650
Base-Backbone interact. energy: -0.104
local terms energy: -50.836006
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -8.880
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -69.571340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.571340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.571340 (E_RNA)
where:
Base-Base interactions energy: -25.060
where: short stacking energy: -24.542
Base-Backbone interact. energy: -0.070
local terms energy: -44.441407
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -251.553402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.553402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.553402 (E_RNA)
where:
Base-Base interactions energy: -177.534
where: short stacking energy: -81.844
Base-Backbone interact. energy: -1.174
local terms energy: -72.845978
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -242.562818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.562818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.562818 (E_RNA)
where:
Base-Base interactions energy: -172.750
where: short stacking energy: -76.700
Base-Backbone interact. energy: -0.001
local terms energy: -69.811898
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -232.643607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.643607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.643607 (E_RNA)
where:
Base-Base interactions energy: -164.441
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.006
local terms energy: -68.196973
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -230.415225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.415225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.415225 (E_RNA)
where:
Base-Base interactions energy: -159.554
where: short stacking energy: -78.042
Base-Backbone interact. energy: -0.173
local terms energy: -70.688066
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -20.592
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: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -230.448028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.448028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.448028 (E_RNA)
where:
Base-Base interactions energy: -151.363
where: short stacking energy: -69.707
Base-Backbone interact. energy: -0.368
local terms energy: -78.717047
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -227.133181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.133181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.133181 (E_RNA)
where:
Base-Base interactions energy: -161.681
where: short stacking energy: -69.177
Base-Backbone interact. energy: -0.092
local terms energy: -65.360160
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -18.093
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: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -223.624114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.624114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.624114 (E_RNA)
where:
Base-Base interactions energy: -162.828
where: short stacking energy: -74.997
Base-Backbone interact. energy: -0.034
local terms energy: -60.762601
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -222.011904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.011904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.011904 (E_RNA)
where:
Base-Base interactions energy: -156.615
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.678
local terms energy: -64.718715
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -8.832
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -72.268065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.268065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.268065 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -24.566
Base-Backbone interact. energy: 0.108
local terms energy: -40.100585
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -9.214
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: 3.866
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: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -93.573305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.573305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.573305 (E_RNA)
where:
Base-Base interactions energy: -42.960
where: short stacking energy: -32.797
Base-Backbone interact. energy: 3.352
local terms energy: -53.965701
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -6.027
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: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -247.136732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.136732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.136732 (E_RNA)
where:
Base-Base interactions energy: -167.118
where: short stacking energy: -76.074
Base-Backbone interact. energy: -0.001
local terms energy: -80.017508
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -19.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -247.041213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.041213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.041213 (E_RNA)
where:
Base-Base interactions energy: -168.851
where: short stacking energy: -77.427
Base-Backbone interact. energy: -0.004
local terms energy: -78.185902
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -22.341
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: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -238.329880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.329880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.329880 (E_RNA)
where:
Base-Base interactions energy: -160.157
where: short stacking energy: -75.713
Base-Backbone interact. energy: -1.265
local terms energy: -76.907875
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -235.395685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.395685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.395685 (E_RNA)
where:
Base-Base interactions energy: -158.080
where: short stacking energy: -78.049
Base-Backbone interact. energy: -0.075
local terms energy: -77.240494
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -21.921
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: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -237.260724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.260724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.260724 (E_RNA)
where:
Base-Base interactions energy: -158.513
where: short stacking energy: -78.006
Base-Backbone interact. energy: -0.249
local terms energy: -78.497996
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -225.131953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.131953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.131953 (E_RNA)
where:
Base-Base interactions energy: -155.474
where: short stacking energy: -74.625
Base-Backbone interact. energy: -0.639
local terms energy: -69.018876
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -234.684560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.684560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.684560 (E_RNA)
where:
Base-Base interactions energy: -170.141
where: short stacking energy: -70.837
Base-Backbone interact. energy: -0.003
local terms energy: -64.540893
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -21.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -211.250376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.250376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.250376 (E_RNA)
where:
Base-Base interactions energy: -140.228
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.821
local terms energy: -70.201319
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -17.695
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: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -85.739718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.739718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.739718 (E_RNA)
where:
Base-Base interactions energy: -41.274
where: short stacking energy: -17.118
Base-Backbone interact. energy: -0.392
local terms energy: -44.073231
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -82.809838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.809838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.809838 (E_RNA)
where:
Base-Base interactions energy: -28.799
where: short stacking energy: -28.899
Base-Backbone interact. energy: -0.180
local terms energy: -53.830834
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -238.931161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.931161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.931161 (E_RNA)
where:
Base-Base interactions energy: -159.902
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.251
local terms energy: -78.777348
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -13.251
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: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -250.671750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.671750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.671750 (E_RNA)
where:
Base-Base interactions energy: -172.707
where: short stacking energy: -78.764
Base-Backbone interact. energy: -1.142
local terms energy: -76.822907
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -21.538
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: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -244.027614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.027614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.027614 (E_RNA)
where:
Base-Base interactions energy: -167.047
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.002
local terms energy: -76.979001
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -19.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -238.939710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.939710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.939710 (E_RNA)
where:
Base-Base interactions energy: -163.346
where: short stacking energy: -79.378
Base-Backbone interact. energy: -0.659
local terms energy: -74.935463
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -232.619568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.619568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.619568 (E_RNA)
where:
Base-Base interactions energy: -164.720
where: short stacking energy: -63.824
Base-Backbone interact. energy: -0.015
local terms energy: -67.885008
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -10.895
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: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -225.885360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.885360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.885360 (E_RNA)
where:
Base-Base interactions energy: -148.094
where: short stacking energy: -65.635
Base-Backbone interact. energy: -0.124
local terms energy: -77.667995
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -227.862127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.862127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.862127 (E_RNA)
where:
Base-Base interactions energy: -157.149
where: short stacking energy: -74.513
Base-Backbone interact. energy: -0.039
local terms energy: -70.673232
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -21.266
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: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -220.963671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.963671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.963671 (E_RNA)
where:
Base-Base interactions energy: -156.665
where: short stacking energy: -70.919
Base-Backbone interact. energy: -0.066
local terms energy: -64.233228
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -21.319
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: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -121.137413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.137413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.137413 (E_RNA)
where:
Base-Base interactions energy: -64.406
where: short stacking energy: -34.412
Base-Backbone interact. energy: -0.069
local terms energy: -56.662174
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -79.501645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.501645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.501645 (E_RNA)
where:
Base-Base interactions energy: -27.059
where: short stacking energy: -22.049
Base-Backbone interact. energy: -0.054
local terms energy: -52.389109
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -1.448
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: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -246.069133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.069133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.069133 (E_RNA)
where:
Base-Base interactions energy: -162.912
where: short stacking energy: -79.650
Base-Backbone interact. energy: -0.651
local terms energy: -82.506375
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -242.727444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.727444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.727444 (E_RNA)
where:
Base-Base interactions energy: -164.402
where: short stacking energy: -74.169
Base-Backbone interact. energy: -0.020
local terms energy: -78.305147
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -19.308
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: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -237.318370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.318370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.318370 (E_RNA)
where:
Base-Base interactions energy: -166.786
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.131
local terms energy: -70.401581
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -13.622
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: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -237.465093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.465093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.465093 (E_RNA)
where:
Base-Base interactions energy: -161.406
where: short stacking energy: -73.833
Base-Backbone interact. energy: -0.002
local terms energy: -76.056151
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -22.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -233.009777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.009777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.009777 (E_RNA)
where:
Base-Base interactions energy: -158.439
where: short stacking energy: -67.645
Base-Backbone interact. energy: -0.489
local terms energy: -74.081880
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -227.979868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.979868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.979868 (E_RNA)
where:
Base-Base interactions energy: -160.242
where: short stacking energy: -71.428
Base-Backbone interact. energy: 0.867
local terms energy: -68.605282
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -7.442
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -12.053
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: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -225.665602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.665602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.665602 (E_RNA)
where:
Base-Base interactions energy: -156.255
where: short stacking energy: -74.598
Base-Backbone interact. energy: -0.083
local terms energy: -69.327169
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -90.890250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.890250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.890250 (E_RNA)
where:
Base-Base interactions energy: -46.114
where: short stacking energy: -35.383
Base-Backbone interact. energy: 0.726
local terms energy: -45.501481
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -4.894
flat angles P-C4'-P energy: -6.664
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: 177
Temperature: 1.300000
Total energy: -207.047061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.047061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.047061 (E_RNA)
where:
Base-Base interactions energy: -146.093
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.170
local terms energy: -60.784298
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -11.717
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: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -80.587054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.587054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.587054 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -31.250
Base-Backbone interact. energy: -0.109
local terms energy: -48.641259
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -248.157165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.157165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.157165 (E_RNA)
where:
Base-Base interactions energy: -170.852
where: short stacking energy: -78.690
Base-Backbone interact. energy: -0.724
local terms energy: -76.581207
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -246.117596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.117596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.117596 (E_RNA)
where:
Base-Base interactions energy: -167.625
where: short stacking energy: -74.051
Base-Backbone interact. energy: -0.304
local terms energy: -78.188075
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -21.175
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: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -236.224086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.224086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.224086 (E_RNA)
where:
Base-Base interactions energy: -159.487
where: short stacking energy: -70.335
Base-Backbone interact. energy: 0.130
local terms energy: -76.867582
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -233.027658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.027658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.027658 (E_RNA)
where:
Base-Base interactions energy: -162.546
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.623
local terms energy: -69.858082
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.648
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: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -229.813756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.813756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.813756 (E_RNA)
where:
Base-Base interactions energy: -157.830
where: short stacking energy: -74.672
Base-Backbone interact. energy: -0.041
local terms energy: -71.943015
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -222.638080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.638080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.638080 (E_RNA)
where:
Base-Base interactions energy: -154.994
where: short stacking energy: -69.917
Base-Backbone interact. energy: -0.026
local terms energy: -67.617383
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -18.011
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: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -215.383364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.383364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.383364 (E_RNA)
where:
Base-Base interactions energy: -148.112
where: short stacking energy: -71.043
Base-Backbone interact. energy: -0.000
local terms energy: -67.270498
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -11.249
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: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -165.878262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.878262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.878262 (E_RNA)
where:
Base-Base interactions energy: -115.271
where: short stacking energy: -55.718
Base-Backbone interact. energy: -0.256
local terms energy: -50.351240
where:
bonds (distance) C4'-P energy: -7.568
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -6.091
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: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -202.513759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.513759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.513759 (E_RNA)
where:
Base-Base interactions energy: -154.883
where: short stacking energy: -63.750
Base-Backbone interact. energy: -0.644
local terms energy: -46.986581
where:
bonds (distance) C4'-P energy: -2.330
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -75.898776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.898776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.898776 (E_RNA)
where:
Base-Base interactions energy: -37.678
where: short stacking energy: -20.712
Base-Backbone interact. energy: -0.734
local terms energy: -37.486455
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -6.405
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: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -244.862797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.862797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.862797 (E_RNA)
where:
Base-Base interactions energy: -165.641
where: short stacking energy: -81.750
Base-Backbone interact. energy: -0.008
local terms energy: -79.213468
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -22.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -242.098520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.098520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.098520 (E_RNA)
where:
Base-Base interactions energy: -164.133
where: short stacking energy: -72.049
Base-Backbone interact. energy: -0.005
local terms energy: -77.960522
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -237.075579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.075579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.075579 (E_RNA)
where:
Base-Base interactions energy: -168.775
where: short stacking energy: -78.220
Base-Backbone interact. energy: -0.031
local terms energy: -68.269345
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -8.347
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -238.781466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.781466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.781466 (E_RNA)
where:
Base-Base interactions energy: -164.627
where: short stacking energy: -75.591
Base-Backbone interact. energy: -0.608
local terms energy: -73.546219
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -228.838466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.838466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.838466 (E_RNA)
where:
Base-Base interactions energy: -156.184
where: short stacking energy: -67.413
Base-Backbone interact. energy: -1.227
local terms energy: -71.427342
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -223.312188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.312188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.312188 (E_RNA)
where:
Base-Base interactions energy: -155.575
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.019
local terms energy: -67.718472
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -214.826357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.826357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.826357 (E_RNA)
where:
Base-Base interactions energy: -155.304
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.404
local terms energy: -59.118779
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -213.799323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.799323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.799323 (E_RNA)
where:
Base-Base interactions energy: -148.444
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.102
local terms energy: -65.253300
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -8.881
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: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -168.943575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.943575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.943575 (E_RNA)
where:
Base-Base interactions energy: -115.896
where: short stacking energy: -52.428
Base-Backbone interact. energy: -0.132
local terms energy: -52.914920
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -87.856271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.856271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.856271 (E_RNA)
where:
Base-Base interactions energy: -50.545
where: short stacking energy: -22.121
Base-Backbone interact. energy: -0.524
local terms energy: -36.786878
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -6.750
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: 4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -246.026607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.026607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.026607 (E_RNA)
where:
Base-Base interactions energy: -172.383
where: short stacking energy: -75.930
Base-Backbone interact. energy: -0.001
local terms energy: -73.641854
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -17.469
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: 180
Temperature: 0.950000
Total energy: -236.495061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.495061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.495061 (E_RNA)
where:
Base-Base interactions energy: -165.358
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.011
local terms energy: -71.126474
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -20.339
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: 180
Temperature: 1.000000
Total energy: -238.083867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.083867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.083867 (E_RNA)
where:
Base-Base interactions energy: -163.769
where: short stacking energy: -73.910
Base-Backbone interact. energy: -0.242
local terms energy: -74.073657
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -238.727435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.727435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.727435 (E_RNA)
where:
Base-Base interactions energy: -161.590
where: short stacking energy: -75.199
Base-Backbone interact. energy: -0.005
local terms energy: -77.132277
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -23.173
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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -231.765640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.765640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.765640 (E_RNA)
where:
Base-Base interactions energy: -162.113
where: short stacking energy: -65.124
Base-Backbone interact. energy: -0.623
local terms energy: -69.029267
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -10.051
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: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -221.776356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.776356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.776356 (E_RNA)
where:
Base-Base interactions energy: -155.374
where: short stacking energy: -69.457
Base-Backbone interact. energy: -0.305
local terms energy: -66.097980
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -215.627520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.627520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.627520 (E_RNA)
where:
Base-Base interactions energy: -150.229
where: short stacking energy: -75.303
Base-Backbone interact. energy: -0.000
local terms energy: -65.398054
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -18.605
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: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -222.381057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.381057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.381057 (E_RNA)
where:
Base-Base interactions energy: -156.073
where: short stacking energy: -65.509
Base-Backbone interact. energy: 0.247
local terms energy: -66.555576
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -217.997014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.997014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.997014 (E_RNA)
where:
Base-Base interactions energy: -150.664
where: short stacking energy: -67.495
Base-Backbone interact. energy: -0.056
local terms energy: -67.277567
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -80.969085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.969085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.969085 (E_RNA)
where:
Base-Base interactions energy: -38.317
where: short stacking energy: -22.338
Base-Backbone interact. energy: 0.002
local terms energy: -42.654297
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -6.612
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -250.482585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.482585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.482585 (E_RNA)
where:
Base-Base interactions energy: -171.346
where: short stacking energy: -80.072
Base-Backbone interact. energy: 1.270
local terms energy: -80.406379
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -21.610
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: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -248.648127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.648127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.648127 (E_RNA)
where:
Base-Base interactions energy: -167.766
where: short stacking energy: -77.056
Base-Backbone interact. energy: -1.173
local terms energy: -79.709128
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -23.155
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: 181
Temperature: 1.000000
Total energy: -234.905157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.905157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.905157 (E_RNA)
where:
Base-Base interactions energy: -165.081
where: short stacking energy: -69.841
Base-Backbone interact. energy: -0.000
local terms energy: -69.823335
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -236.184603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.184603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.184603 (E_RNA)
where:
Base-Base interactions energy: -164.168
where: short stacking energy: -78.008
Base-Backbone interact. energy: -0.796
local terms energy: -71.220994
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -19.802
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: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -231.978532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.978532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.978532 (E_RNA)
where:
Base-Base interactions energy: -166.941
where: short stacking energy: -72.990
Base-Backbone interact. energy: -0.018
local terms energy: -65.020143
where:
bonds (distance) C4'-P energy: -9.161
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -225.621930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.621930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.621930 (E_RNA)
where:
Base-Base interactions energy: -158.252
where: short stacking energy: -64.496
Base-Backbone interact. energy: -0.851
local terms energy: -66.519004
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -229.830782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.830782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.830782 (E_RNA)
where:
Base-Base interactions energy: -157.442
where: short stacking energy: -71.706
Base-Backbone interact. energy: -0.000
local terms energy: -72.388816
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -211.392411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.392411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.392411 (E_RNA)
where:
Base-Base interactions energy: -153.942
where: short stacking energy: -64.956
Base-Backbone interact. energy: -1.103
local terms energy: -56.347253
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -6.682
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: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -203.976258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.976258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.976258 (E_RNA)
where:
Base-Base interactions energy: -145.205
where: short stacking energy: -62.967
Base-Backbone interact. energy: -0.010
local terms energy: -58.760673
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -16.761
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: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -75.286063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.286063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.286063 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -35.465
Base-Backbone interact. energy: 0.020
local terms energy: -39.840986
where:
bonds (distance) C4'-P energy: -8.287
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -250.575507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.575507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.575507 (E_RNA)
where:
Base-Base interactions energy: -175.916
where: short stacking energy: -82.620
Base-Backbone interact. energy: -0.320
local terms energy: -74.338914
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -20.542
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: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -242.566768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.566768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.566768 (E_RNA)
where:
Base-Base interactions energy: -169.647
where: short stacking energy: -76.576
Base-Backbone interact. energy: -0.296
local terms energy: -72.624023
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -248.641506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.641506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.641506 (E_RNA)
where:
Base-Base interactions energy: -171.209
where: short stacking energy: -73.070
Base-Backbone interact. energy: -0.488
local terms energy: -76.944629
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -235.641765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.641765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.641765 (E_RNA)
where:
Base-Base interactions energy: -162.558
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.146
local terms energy: -72.937525
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -227.223578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.223578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.223578 (E_RNA)
where:
Base-Base interactions energy: -156.568
where: short stacking energy: -70.491
Base-Backbone interact. energy: -0.109
local terms energy: -70.546206
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -235.700936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.700936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.700936 (E_RNA)
where:
Base-Base interactions energy: -165.783
where: short stacking energy: -70.606
Base-Backbone interact. energy: 0.149
local terms energy: -70.066929
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -10.261
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: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -219.493060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.493060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.493060 (E_RNA)
where:
Base-Base interactions energy: -156.381
where: short stacking energy: -65.300
Base-Backbone interact. energy: -0.576
local terms energy: -62.536283
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -217.937464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.937464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.937464 (E_RNA)
where:
Base-Base interactions energy: -153.719
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.006
local terms energy: -64.212492
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -206.265863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.265863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.265863 (E_RNA)
where:
Base-Base interactions energy: -144.791
where: short stacking energy: -63.716
Base-Backbone interact. energy: -0.102
local terms energy: -61.372656
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -74.910339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.910339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.910339 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.198
local terms energy: -41.293062
where:
bonds (distance) C4'-P energy: -8.081
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: 2.700
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: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -240.959253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.959253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.959253 (E_RNA)
where:
Base-Base interactions energy: -168.543
where: short stacking energy: -70.770
Base-Backbone interact. energy: -0.002
local terms energy: -72.414910
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -246.907852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.907852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.907852 (E_RNA)
where:
Base-Base interactions energy: -168.628
where: short stacking energy: -80.237
Base-Backbone interact. energy: -1.659
local terms energy: -76.620137
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -236.052618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.052618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.052618 (E_RNA)
where:
Base-Base interactions energy: -166.606
where: short stacking energy: -68.891
Base-Backbone interact. energy: -0.459
local terms energy: -68.987441
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -13.279
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: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -228.826370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.826370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.826370 (E_RNA)
where:
Base-Base interactions energy: -159.262
where: short stacking energy: -62.163
Base-Backbone interact. energy: -1.416
local terms energy: -68.148071
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -16.368
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: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -231.663893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.663893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.663893 (E_RNA)
where:
Base-Base interactions energy: -162.997
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.099
local terms energy: -68.567029
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -12.924
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: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -236.428781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.428781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.428781 (E_RNA)
where:
Base-Base interactions energy: -168.953
where: short stacking energy: -80.347
Base-Backbone interact. energy: -0.010
local terms energy: -67.465591
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -221.977725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.977725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.977725 (E_RNA)
where:
Base-Base interactions energy: -154.956
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.018
local terms energy: -67.004223
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -216.634356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.634356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.634356 (E_RNA)
where:
Base-Base interactions energy: -148.696
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.645
local terms energy: -67.292915
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -9.983
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -20.313
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: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -217.384042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.384042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.384042 (E_RNA)
where:
Base-Base interactions energy: -155.091
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.726
local terms energy: -61.566628
where:
bonds (distance) C4'-P energy: -6.161
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -80.440314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.440314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.440314 (E_RNA)
where:
Base-Base interactions energy: -31.710
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.321
local terms energy: -48.408717
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -0.207
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: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -247.557667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.557667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.557667 (E_RNA)
where:
Base-Base interactions energy: -168.454
where: short stacking energy: -80.335
Base-Backbone interact. energy: -0.029
local terms energy: -79.074958
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -237.445338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.445338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.445338 (E_RNA)
where:
Base-Base interactions energy: -168.996
where: short stacking energy: -72.649
Base-Backbone interact. energy: -0.010
local terms energy: -68.439310
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -237.368462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.368462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.368462 (E_RNA)
where:
Base-Base interactions energy: -162.640
where: short stacking energy: -75.231
Base-Backbone interact. energy: -0.830
local terms energy: -73.898005
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -20.456
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: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -233.831740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.831740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.831740 (E_RNA)
where:
Base-Base interactions energy: -165.933
where: short stacking energy: -74.856
Base-Backbone interact. energy: -0.282
local terms energy: -67.617034
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -19.556
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: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -218.530863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.530863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.530863 (E_RNA)
where:
Base-Base interactions energy: -151.798
where: short stacking energy: -70.806
Base-Backbone interact. energy: -0.290
local terms energy: -66.442910
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -229.983773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.983773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.983773 (E_RNA)
where:
Base-Base interactions energy: -158.504
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.004
local terms energy: -71.476520
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -224.335225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.335225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.335225 (E_RNA)
where:
Base-Base interactions energy: -152.916
where: short stacking energy: -69.990
Base-Backbone interact. energy: -1.330
local terms energy: -70.089251
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -21.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -214.626822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.626822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.626822 (E_RNA)
where:
Base-Base interactions energy: -153.675
where: short stacking energy: -62.821
Base-Backbone interact. energy: -1.359
local terms energy: -59.592213
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -216.564572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.564572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.564572 (E_RNA)
where:
Base-Base interactions energy: -153.546
where: short stacking energy: -65.625
Base-Backbone interact. energy: -0.006
local terms energy: -63.012111
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -74.406569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.406569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.406569 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -27.229
Base-Backbone interact. energy: 0.290
local terms energy: -45.622540
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -4.304
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: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -252.136541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.136541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.136541 (E_RNA)
where:
Base-Base interactions energy: -169.938
where: short stacking energy: -80.255
Base-Backbone interact. energy: -1.528
local terms energy: -80.670617
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -237.400059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.400059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.400059 (E_RNA)
where:
Base-Base interactions energy: -164.290
where: short stacking energy: -68.509
Base-Backbone interact. energy: -0.452
local terms energy: -72.658277
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -232.887493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.887493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.887493 (E_RNA)
where:
Base-Base interactions energy: -159.353
where: short stacking energy: -69.463
Base-Backbone interact. energy: -0.288
local terms energy: -73.246534
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -16.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -246.129355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.129355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.129355 (E_RNA)
where:
Base-Base interactions energy: -167.705
where: short stacking energy: -73.720
Base-Backbone interact. energy: -0.995
local terms energy: -77.428858
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -225.828708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.828708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.828708 (E_RNA)
where:
Base-Base interactions energy: -154.882
where: short stacking energy: -64.538
Base-Backbone interact. energy: -0.007
local terms energy: -70.940019
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -20.046
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: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -225.506299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.506299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.506299 (E_RNA)
where:
Base-Base interactions energy: -152.233
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.250
local terms energy: -73.023490
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -18.655
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: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -224.230789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.230789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.230789 (E_RNA)
where:
Base-Base interactions energy: -161.130
where: short stacking energy: -67.227
Base-Backbone interact. energy: -0.005
local terms energy: -63.095536
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -18.171
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: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -227.475130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.475130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.475130 (E_RNA)
where:
Base-Base interactions energy: -156.520
where: short stacking energy: -73.005
Base-Backbone interact. energy: -0.000
local terms energy: -70.954880
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -21.045
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: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -210.347635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.347635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.347635 (E_RNA)
where:
Base-Base interactions energy: -147.809
where: short stacking energy: -63.858
Base-Backbone interact. energy: -0.002
local terms energy: -62.536600
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -70.473101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.473101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.473101 (E_RNA)
where:
Base-Base interactions energy: -24.553
where: short stacking energy: -24.553
Base-Backbone interact. energy: 0.175
local terms energy: -46.095324
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: 0.984
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: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -249.256561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.256561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.256561 (E_RNA)
where:
Base-Base interactions energy: -168.817
where: short stacking energy: -73.616
Base-Backbone interact. energy: -1.878
local terms energy: -78.561562
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -243.883836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.883836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.883836 (E_RNA)
where:
Base-Base interactions energy: -170.386
where: short stacking energy: -82.068
Base-Backbone interact. energy: -0.000
local terms energy: -73.497388
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -243.636426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.636426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.636426 (E_RNA)
where:
Base-Base interactions energy: -177.885
where: short stacking energy: -68.776
Base-Backbone interact. energy: -0.701
local terms energy: -65.050041
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -9.825
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: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -240.467749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.467749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.467749 (E_RNA)
where:
Base-Base interactions energy: -163.645
where: short stacking energy: -75.545
Base-Backbone interact. energy: -0.000
local terms energy: -76.822795
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -232.570331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.570331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.570331 (E_RNA)
where:
Base-Base interactions energy: -166.415
where: short stacking energy: -71.208
Base-Backbone interact. energy: -0.002
local terms energy: -66.154278
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -231.360549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.360549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.360549 (E_RNA)
where:
Base-Base interactions energy: -158.683
where: short stacking energy: -76.938
Base-Backbone interact. energy: -0.092
local terms energy: -72.586240
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -216.715722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.715722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.715722 (E_RNA)
where:
Base-Base interactions energy: -144.911
where: short stacking energy: -64.522
Base-Backbone interact. energy: -1.163
local terms energy: -70.641651
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -219.851306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.851306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.851306 (E_RNA)
where:
Base-Base interactions energy: -153.133
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.004
local terms energy: -66.714989
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -222.932224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.932224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.932224 (E_RNA)
where:
Base-Base interactions energy: -148.144
where: short stacking energy: -66.789
Base-Backbone interact. energy: -0.773
local terms energy: -74.014946
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -11.949
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: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -77.290642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.290642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.290642 (E_RNA)
where:
Base-Base interactions energy: -28.927
where: short stacking energy: -28.646
Base-Backbone interact. energy: -0.064
local terms energy: -48.299354
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -4.282
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: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -246.860077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.860077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.860077 (E_RNA)
where:
Base-Base interactions energy: -163.258
where: short stacking energy: -76.106
Base-Backbone interact. energy: 0.699
local terms energy: -84.300683
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -235.450803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.450803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.450803 (E_RNA)
where:
Base-Base interactions energy: -165.469
where: short stacking energy: -76.554
Base-Backbone interact. energy: -1.024
local terms energy: -68.957375
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -236.400131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.400131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.400131 (E_RNA)
where:
Base-Base interactions energy: -163.156
where: short stacking energy: -75.311
Base-Backbone interact. energy: -1.215
local terms energy: -72.029762
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -234.217552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.217552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.217552 (E_RNA)
where:
Base-Base interactions energy: -164.137
where: short stacking energy: -72.141
Base-Backbone interact. energy: -0.001
local terms energy: -70.079835
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -232.827788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.827788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.827788 (E_RNA)
where:
Base-Base interactions energy: -169.381
where: short stacking energy: -71.242
Base-Backbone interact. energy: -0.008
local terms energy: -63.438844
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -19.660
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: 187
Temperature: 1.150000
Total energy: -230.277092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.277092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.277092 (E_RNA)
where:
Base-Base interactions energy: -160.643
where: short stacking energy: -70.452
Base-Backbone interact. energy: -0.019
local terms energy: -69.615213
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -17.872
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: 187
Temperature: 1.200000
Total energy: -223.037718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.037718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.037718 (E_RNA)
where:
Base-Base interactions energy: -150.695
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.281
local terms energy: -72.061909
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -217.699897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.699897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.699897 (E_RNA)
where:
Base-Base interactions energy: -154.544
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.002
local terms energy: -63.153272
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -203.445113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.445113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.445113 (E_RNA)
where:
Base-Base interactions energy: -140.052
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.029
local terms energy: -63.363641
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -15.531
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: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -80.943493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.943493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.943493 (E_RNA)
where:
Base-Base interactions energy: -44.123
where: short stacking energy: -10.494
Base-Backbone interact. energy: -0.813
local terms energy: -36.007846
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -5.444
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -245.009115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.009115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.009115 (E_RNA)
where:
Base-Base interactions energy: -168.581
where: short stacking energy: -79.691
Base-Backbone interact. energy: -0.158
local terms energy: -76.270781
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -19.655
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: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -243.191542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.191542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.191542 (E_RNA)
where:
Base-Base interactions energy: -168.989
where: short stacking energy: -76.093
Base-Backbone interact. energy: -0.645
local terms energy: -73.557936
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -239.610263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.610263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.610263 (E_RNA)
where:
Base-Base interactions energy: -165.922
where: short stacking energy: -79.047
Base-Backbone interact. energy: -0.100
local terms energy: -73.588552
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -242.814617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.814617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.814617 (E_RNA)
where:
Base-Base interactions energy: -166.201
where: short stacking energy: -76.899
Base-Backbone interact. energy: -1.091
local terms energy: -75.523443
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -230.926437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.926437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.926437 (E_RNA)
where:
Base-Base interactions energy: -158.905
where: short stacking energy: -72.993
Base-Backbone interact. energy: -0.000
local terms energy: -72.021548
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -21.205
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: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -222.604622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.604622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.604622 (E_RNA)
where:
Base-Base interactions energy: -154.428
where: short stacking energy: -64.684
Base-Backbone interact. energy: 0.821
local terms energy: -68.997952
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -20.126
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: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -231.842984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.842984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.842984 (E_RNA)
where:
Base-Base interactions energy: -159.351
where: short stacking energy: -73.635
Base-Backbone interact. energy: -0.028
local terms energy: -72.463833
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -20.199
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: 188
Temperature: 1.250000
Total energy: -223.396325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.396325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.396325 (E_RNA)
where:
Base-Base interactions energy: -155.230
where: short stacking energy: -75.704
Base-Backbone interact. energy: -0.903
local terms energy: -67.263590
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -218.490890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.490890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.490890 (E_RNA)
where:
Base-Base interactions energy: -151.355
where: short stacking energy: -66.132
Base-Backbone interact. energy: -0.001
local terms energy: -67.135114
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -10.630
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: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -78.976841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.976841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.976841 (E_RNA)
where:
Base-Base interactions energy: -31.725
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.011
local terms energy: -47.241031
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -249.600583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.600583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.600583 (E_RNA)
where:
Base-Base interactions energy: -168.383
where: short stacking energy: -77.770
Base-Backbone interact. energy: 0.012
local terms energy: -81.229855
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -250.339226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.339226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.339226 (E_RNA)
where:
Base-Base interactions energy: -176.957
where: short stacking energy: -77.534
Base-Backbone interact. energy: -0.002
local terms energy: -73.380976
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -240.142472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.142472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.142472 (E_RNA)
where:
Base-Base interactions energy: -165.719
where: short stacking energy: -73.761
Base-Backbone interact. energy: -0.001
local terms energy: -74.422432
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -18.332
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: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -233.321401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.321401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.321401 (E_RNA)
where:
Base-Base interactions energy: -158.454
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.220
local terms energy: -74.647673
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -19.264
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: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -226.864155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.864155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.864155 (E_RNA)
where:
Base-Base interactions energy: -158.596
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.010
local terms energy: -68.257738
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -16.498
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: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -224.057747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.057747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.057747 (E_RNA)
where:
Base-Base interactions energy: -150.664
where: short stacking energy: -61.859
Base-Backbone interact. energy: -1.471
local terms energy: -71.923152
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -19.674
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: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -227.133951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.133951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.133951 (E_RNA)
where:
Base-Base interactions energy: -159.856
where: short stacking energy: -65.297
Base-Backbone interact. energy: -0.180
local terms energy: -67.097746
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -11.387
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: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -199.587014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.587014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.587014 (E_RNA)
where:
Base-Base interactions energy: -139.979
where: short stacking energy: -60.287
Base-Backbone interact. energy: -0.332
local terms energy: -59.276007
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -6.864
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -228.002598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.002598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.002598 (E_RNA)
where:
Base-Base interactions energy: -158.944
where: short stacking energy: -70.222
Base-Backbone interact. energy: -0.627
local terms energy: -68.431058
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -76.699453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.699453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.699453 (E_RNA)
where:
Base-Base interactions energy: -31.059
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.118
local terms energy: -45.521908
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -8.428
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -251.349035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.349035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.349035 (E_RNA)
where:
Base-Base interactions energy: -170.198
where: short stacking energy: -77.284
Base-Backbone interact. energy: -0.195
local terms energy: -80.956034
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -243.796135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.796135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.796135 (E_RNA)
where:
Base-Base interactions energy: -168.802
where: short stacking energy: -67.902
Base-Backbone interact. energy: 1.124
local terms energy: -76.117548
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -228.393594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.393594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.393594 (E_RNA)
where:
Base-Base interactions energy: -153.283
where: short stacking energy: -69.220
Base-Backbone interact. energy: -0.055
local terms energy: -75.055234
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -231.109059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.109059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.109059 (E_RNA)
where:
Base-Base interactions energy: -160.352
where: short stacking energy: -77.822
Base-Backbone interact. energy: -0.867
local terms energy: -69.889750
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -17.904
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: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -227.824955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.824955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.824955 (E_RNA)
where:
Base-Base interactions energy: -162.793
where: short stacking energy: -72.015
Base-Backbone interact. energy: -0.012
local terms energy: -65.019532
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -9.348
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: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -224.111526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.111526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.111526 (E_RNA)
where:
Base-Base interactions energy: -153.139
where: short stacking energy: -71.885
Base-Backbone interact. energy: -0.014
local terms energy: -70.957899
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -19.822
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: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -225.522256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.522256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.522256 (E_RNA)
where:
Base-Base interactions energy: -158.831
where: short stacking energy: -69.225
Base-Backbone interact. energy: -0.030
local terms energy: -66.660844
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -215.209093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.209093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.209093 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -72.168
Base-Backbone interact. energy: -1.507
local terms energy: -69.679727
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -211.058591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.058591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.058591 (E_RNA)
where:
Base-Base interactions energy: -153.389
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.004
local terms energy: -57.665485
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -7.931
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -4.405
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: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -82.227320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.227320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.227320 (E_RNA)
where:
Base-Base interactions energy: -25.592
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.131
local terms energy: -56.504391
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -242.935082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.935082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.935082 (E_RNA)
where:
Base-Base interactions energy: -170.405
where: short stacking energy: -69.045
Base-Backbone interact. energy: -1.259
local terms energy: -71.271515
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -237.419963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.419963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.419963 (E_RNA)
where:
Base-Base interactions energy: -166.572
where: short stacking energy: -73.049
Base-Backbone interact. energy: -0.000
local terms energy: -70.848035
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -233.555234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.555234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.555234 (E_RNA)
where:
Base-Base interactions energy: -164.857
where: short stacking energy: -72.814
Base-Backbone interact. energy: -0.387
local terms energy: -68.311423
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -231.937485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.937485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.937485 (E_RNA)
where:
Base-Base interactions energy: -172.409
where: short stacking energy: -70.224
Base-Backbone interact. energy: -0.577
local terms energy: -58.951693
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -8.991
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -231.469803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.469803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.469803 (E_RNA)
where:
Base-Base interactions energy: -163.269
where: short stacking energy: -77.749
Base-Backbone interact. energy: 0.118
local terms energy: -68.319168
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -18.895
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: 191
Temperature: 1.150000
Total energy: -228.832235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.832235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.832235 (E_RNA)
where:
Base-Base interactions energy: -153.827
where: short stacking energy: -73.001
Base-Backbone interact. energy: -0.000
local terms energy: -75.004643
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -226.354959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.354959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.354959 (E_RNA)
where:
Base-Base interactions energy: -169.199
where: short stacking energy: -69.461
Base-Backbone interact. energy: -0.063
local terms energy: -57.092834
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -225.010042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.010042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.010042 (E_RNA)
where:
Base-Base interactions energy: -152.886
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.080
local terms energy: -72.043658
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -11.813
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: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -224.182322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.182322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.182322 (E_RNA)
where:
Base-Base interactions energy: -158.142
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.223
local terms energy: -65.817545
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -86.186654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.186654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.186654 (E_RNA)
where:
Base-Base interactions energy: -34.721
where: short stacking energy: -31.574
Base-Backbone interact. energy: -0.010
local terms energy: -51.455534
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -242.678346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.678346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.678346 (E_RNA)
where:
Base-Base interactions energy: -163.257
where: short stacking energy: -69.580
Base-Backbone interact. energy: -0.592
local terms energy: -78.829137
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -244.282512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.282512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.282512 (E_RNA)
where:
Base-Base interactions energy: -168.309
where: short stacking energy: -73.968
Base-Backbone interact. energy: -0.814
local terms energy: -75.159916
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -234.622595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.622595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.622595 (E_RNA)
where:
Base-Base interactions energy: -164.482
where: short stacking energy: -71.457
Base-Backbone interact. energy: -0.076
local terms energy: -70.064824
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -240.493822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.493822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.493822 (E_RNA)
where:
Base-Base interactions energy: -163.230
where: short stacking energy: -76.744
Base-Backbone interact. energy: -0.039
local terms energy: -77.224606
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -20.647
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: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -229.103398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.103398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.103398 (E_RNA)
where:
Base-Base interactions energy: -161.009
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.105
local terms energy: -67.989289
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -225.915134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.915134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.915134 (E_RNA)
where:
Base-Base interactions energy: -155.000
where: short stacking energy: -73.850
Base-Backbone interact. energy: -0.056
local terms energy: -70.859584
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -7.900
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -222.310195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.310195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.310195 (E_RNA)
where:
Base-Base interactions energy: -152.182
where: short stacking energy: -66.431
Base-Backbone interact. energy: -0.122
local terms energy: -70.006220
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -208.570610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.570610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.570610 (E_RNA)
where:
Base-Base interactions energy: -144.869
where: short stacking energy: -62.921
Base-Backbone interact. energy: -0.002
local terms energy: -63.698973
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -226.911394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.911394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.911394 (E_RNA)
where:
Base-Base interactions energy: -156.102
where: short stacking energy: -69.275
Base-Backbone interact. energy: -0.314
local terms energy: -70.495311
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -21.268
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: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -73.530251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.530251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.530251 (E_RNA)
where:
Base-Base interactions energy: -35.568
where: short stacking energy: -29.136
Base-Backbone interact. energy: -0.232
local terms energy: -37.729871
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: 2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -239.559022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.559022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.559022 (E_RNA)
where:
Base-Base interactions energy: -174.047
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.033
local terms energy: -65.479491
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -5.973
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: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -241.409911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.409911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.409911 (E_RNA)
where:
Base-Base interactions energy: -168.801
where: short stacking energy: -70.441
Base-Backbone interact. energy: -0.344
local terms energy: -72.265526
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -16.968
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: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -236.100903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.100903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.100903 (E_RNA)
where:
Base-Base interactions energy: -162.549
where: short stacking energy: -72.895
Base-Backbone interact. energy: -0.667
local terms energy: -72.884999
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -21.053
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: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -242.610814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.610814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.610814 (E_RNA)
where:
Base-Base interactions energy: -170.279
where: short stacking energy: -76.182
Base-Backbone interact. energy: -0.270
local terms energy: -72.061203
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -19.862
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: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -241.592282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.592282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.592282 (E_RNA)
where:
Base-Base interactions energy: -165.789
where: short stacking energy: -76.095
Base-Backbone interact. energy: -0.295
local terms energy: -75.508660
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -212.701124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.701124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.701124 (E_RNA)
where:
Base-Base interactions energy: -145.222
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.165
local terms energy: -67.314356
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -13.423
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: 193
Temperature: 1.200000
Total energy: -216.135934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.135934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.135934 (E_RNA)
where:
Base-Base interactions energy: -145.460
where: short stacking energy: -65.266
Base-Backbone interact. energy: -0.022
local terms energy: -70.654403
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -215.638396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.638396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.638396 (E_RNA)
where:
Base-Base interactions energy: -150.367
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.049
local terms energy: -65.222005
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -15.887
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: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -204.792520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.792520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.792520 (E_RNA)
where:
Base-Base interactions energy: -147.216
where: short stacking energy: -64.590
Base-Backbone interact. energy: -1.116
local terms energy: -56.460631
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -7.813
flat angles P-C4'-P energy: -8.456
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: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -71.618958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.618958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.618958 (E_RNA)
where:
Base-Base interactions energy: -32.129
where: short stacking energy: -32.129
Base-Backbone interact. energy: -0.224
local terms energy: -39.266709
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -7.578
flat angles P-C4'-P energy: -4.215
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: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -245.471616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.471616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.471616 (E_RNA)
where:
Base-Base interactions energy: -172.083
where: short stacking energy: -76.775
Base-Backbone interact. energy: -0.157
local terms energy: -73.232348
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -239.845913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.845913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.845913 (E_RNA)
where:
Base-Base interactions energy: -164.372
where: short stacking energy: -69.667
Base-Backbone interact. energy: -0.000
local terms energy: -75.473194
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -12.938
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: 3, replica: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -235.823460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.823460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.823460 (E_RNA)
where:
Base-Base interactions energy: -160.716
where: short stacking energy: -73.950
Base-Backbone interact. energy: -0.066
local terms energy: -75.042270
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -237.391552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.391552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.391552 (E_RNA)
where:
Base-Base interactions energy: -161.848
where: short stacking energy: -69.277
Base-Backbone interact. energy: -0.304
local terms energy: -75.239284
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -203.703842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.703842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.703842 (E_RNA)
where:
Base-Base interactions energy: -147.863
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.241
local terms energy: -55.599845
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -9.594
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -11.221
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: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -228.620672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.620672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.620672 (E_RNA)
where:
Base-Base interactions energy: -150.706
where: short stacking energy: -72.758
Base-Backbone interact. energy: -0.442
local terms energy: -77.473004
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -21.405
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: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -212.218707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.218707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.218707 (E_RNA)
where:
Base-Base interactions energy: -144.638
where: short stacking energy: -57.869
Base-Backbone interact. energy: -1.169
local terms energy: -66.411630
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -18.442
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: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -216.093927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.093927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.093927 (E_RNA)
where:
Base-Base interactions energy: -151.420
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.597
local terms energy: -64.076385
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -217.990880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.990880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.990880 (E_RNA)
where:
Base-Base interactions energy: -149.081
where: short stacking energy: -61.252
Base-Backbone interact. energy: -1.306
local terms energy: -67.603422
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -70.553713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.553713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.553713 (E_RNA)
where:
Base-Base interactions energy: -24.490
where: short stacking energy: -23.103
Base-Backbone interact. energy: -0.099
local terms energy: -45.964848
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: 0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -249.622763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.622763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.622763 (E_RNA)
where:
Base-Base interactions energy: -168.959
where: short stacking energy: -76.742
Base-Backbone interact. energy: -0.019
local terms energy: -80.644491
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -240.289250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.289250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.289250 (E_RNA)
where:
Base-Base interactions energy: -160.567
where: short stacking energy: -75.098
Base-Backbone interact. energy: -0.081
local terms energy: -79.641496
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -18.361
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: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -243.020299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.020299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.020299 (E_RNA)
where:
Base-Base interactions energy: -172.984
where: short stacking energy: -75.826
Base-Backbone interact. energy: 0.465
local terms energy: -70.500737
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -22.581
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: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -238.485017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.485017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.485017 (E_RNA)
where:
Base-Base interactions energy: -159.070
where: short stacking energy: -77.285
Base-Backbone interact. energy: -0.052
local terms energy: -79.362427
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -21.038
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -226.459090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.459090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.459090 (E_RNA)
where:
Base-Base interactions energy: -157.552
where: short stacking energy: -69.785
Base-Backbone interact. energy: -1.249
local terms energy: -67.657670
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -230.549758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.549758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.549758 (E_RNA)
where:
Base-Base interactions energy: -156.678
where: short stacking energy: -74.238
Base-Backbone interact. energy: -0.044
local terms energy: -73.827333
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -18.209
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: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -215.586971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.586971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.586971 (E_RNA)
where:
Base-Base interactions energy: -152.430
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.106
local terms energy: -63.050456
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -9.947
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: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -209.803309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.803309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.803309 (E_RNA)
where:
Base-Base interactions energy: -148.688
where: short stacking energy: -60.326
Base-Backbone interact. energy: -0.157
local terms energy: -60.958702
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -9.810
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: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -220.425853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.425853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425853 (E_RNA)
where:
Base-Base interactions energy: -150.118
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.169
local terms energy: -70.138769
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -87.012517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.012517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.012517 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -17.513
Base-Backbone interact. energy: -0.971
local terms energy: -46.226678
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -248.180096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.180096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.180096 (E_RNA)
where:
Base-Base interactions energy: -168.959
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.005
local terms energy: -79.216401
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -242.080818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.080818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.080818 (E_RNA)
where:
Base-Base interactions energy: -167.014
where: short stacking energy: -61.448
Base-Backbone interact. energy: -0.643
local terms energy: -74.423993
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -19.087
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -236.900946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.900946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.900946 (E_RNA)
where:
Base-Base interactions energy: -163.872
where: short stacking energy: -78.618
Base-Backbone interact. energy: -0.047
local terms energy: -72.982473
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -18.925
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: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -236.978107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.978107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.978107 (E_RNA)
where:
Base-Base interactions energy: -167.580
where: short stacking energy: -70.408
Base-Backbone interact. energy: -0.283
local terms energy: -69.115634
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -15.680
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: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -232.485128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.485128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.485128 (E_RNA)
where:
Base-Base interactions energy: -161.188
where: short stacking energy: -74.985
Base-Backbone interact. energy: -0.575
local terms energy: -70.722158
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -18.628
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: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -218.744485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.744485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.744485 (E_RNA)
where:
Base-Base interactions energy: -153.229
where: short stacking energy: -61.391
Base-Backbone interact. energy: -0.391
local terms energy: -65.124621
where:
bonds (distance) C4'-P energy: -6.867
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -12.613
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: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -221.524203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.524203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.524203 (E_RNA)
where:
Base-Base interactions energy: -154.541
where: short stacking energy: -62.453
Base-Backbone interact. energy: -1.239
local terms energy: -65.744947
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -8.623
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: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -221.600955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.600955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.600955 (E_RNA)
where:
Base-Base interactions energy: -151.419
where: short stacking energy: -72.802
Base-Backbone interact. energy: -0.008
local terms energy: -70.173302
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -8.414
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -19.250
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: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -211.189231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.189231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.189231 (E_RNA)
where:
Base-Base interactions energy: -142.277
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.375
local terms energy: -68.537458
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -79.948961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.948961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.948961 (E_RNA)
where:
Base-Base interactions energy: -40.232
where: short stacking energy: -15.363
Base-Backbone interact. energy: -0.342
local terms energy: -39.375667
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: 3.041
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: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -250.908861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.908861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.908861 (E_RNA)
where:
Base-Base interactions energy: -171.847
where: short stacking energy: -77.670
Base-Backbone interact. energy: -0.282
local terms energy: -78.779781
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -244.545229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.545229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.545229 (E_RNA)
where:
Base-Base interactions energy: -176.508
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.170
local terms energy: -67.867433
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -16.149
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: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -241.513229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.513229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.513229 (E_RNA)
where:
Base-Base interactions energy: -167.978
where: short stacking energy: -74.772
Base-Backbone interact. energy: -0.002
local terms energy: -73.533199
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -236.874188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.874188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.874188 (E_RNA)
where:
Base-Base interactions energy: -162.729
where: short stacking energy: -65.399
Base-Backbone interact. energy: -0.298
local terms energy: -73.847516
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -238.928002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.928002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.928002 (E_RNA)
where:
Base-Base interactions energy: -166.267
where: short stacking energy: -69.262
Base-Backbone interact. energy: -0.782
local terms energy: -71.878784
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -18.763
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: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -219.815670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.815670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.815670 (E_RNA)
where:
Base-Base interactions energy: -152.889
where: short stacking energy: -64.039
Base-Backbone interact. energy: -0.006
local terms energy: -66.920504
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -11.794
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: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -215.016886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.016886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.016886 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -66.724
Base-Backbone interact. energy: 1.487
local terms energy: -63.055496
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -228.773276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.773276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.773276 (E_RNA)
where:
Base-Base interactions energy: -158.402
where: short stacking energy: -67.327
Base-Backbone interact. energy: -0.886
local terms energy: -69.485724
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -12.081
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: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -207.918486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.918486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.918486 (E_RNA)
where:
Base-Base interactions energy: -142.539
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.000
local terms energy: -65.379027
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -80.953216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.953216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.953216 (E_RNA)
where:
Base-Base interactions energy: -31.607
where: short stacking energy: -22.410
Base-Backbone interact. energy: -0.064
local terms energy: -49.282024
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -236.564487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.564487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.564487 (E_RNA)
where:
Base-Base interactions energy: -168.968
where: short stacking energy: -70.897
Base-Backbone interact. energy: -0.575
local terms energy: -67.021437
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.058
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: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -244.322151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.322151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.322151 (E_RNA)
where:
Base-Base interactions energy: -171.416
where: short stacking energy: -78.866
Base-Backbone interact. energy: -0.051
local terms energy: -72.855465
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -239.939601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.939601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.939601 (E_RNA)
where:
Base-Base interactions energy: -167.249
where: short stacking energy: -69.618
Base-Backbone interact. energy: -0.011
local terms energy: -72.679935
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -233.010405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.010405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.010405 (E_RNA)
where:
Base-Base interactions energy: -161.608
where: short stacking energy: -76.069
Base-Backbone interact. energy: -0.001
local terms energy: -71.401453
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -19.086
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: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -238.739577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.739577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.739577 (E_RNA)
where:
Base-Base interactions energy: -164.462
where: short stacking energy: -75.104
Base-Backbone interact. energy: -0.008
local terms energy: -74.269486
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -19.476
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: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -226.845361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.845361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.845361 (E_RNA)
where:
Base-Base interactions energy: -157.901
where: short stacking energy: -69.774
Base-Backbone interact. energy: -0.137
local terms energy: -68.806711
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -226.058959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.058959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.058959 (E_RNA)
where:
Base-Base interactions energy: -157.266
where: short stacking energy: -70.791
Base-Backbone interact. energy: -0.039
local terms energy: -68.753970
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -216.518492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.518492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.518492 (E_RNA)
where:
Base-Base interactions energy: -145.140
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.018
local terms energy: -71.360487
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -16.744
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: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -221.278905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.278905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.278905 (E_RNA)
where:
Base-Base interactions energy: -155.517
where: short stacking energy: -74.314
Base-Backbone interact. energy: -0.314
local terms energy: -65.446913
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -85.356770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.356770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.356770 (E_RNA)
where:
Base-Base interactions energy: -36.445
where: short stacking energy: -24.434
Base-Backbone interact. energy: 1.029
local terms energy: -49.941101
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -246.516144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.516144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.516144 (E_RNA)
where:
Base-Base interactions energy: -168.425
where: short stacking energy: -81.081
Base-Backbone interact. energy: -0.033
local terms energy: -78.058612
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -243.144785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.144785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.144785 (E_RNA)
where:
Base-Base interactions energy: -170.384
where: short stacking energy: -74.171
Base-Backbone interact. energy: -0.016
local terms energy: -72.744720
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -240.059456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.059456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.059456 (E_RNA)
where:
Base-Base interactions energy: -162.087
where: short stacking energy: -70.513
Base-Backbone interact. energy: -2.959
local terms energy: -75.013890
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -17.909
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: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -236.428183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.428183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.428183 (E_RNA)
where:
Base-Base interactions energy: -165.357
where: short stacking energy: -69.842
Base-Backbone interact. energy: -0.091
local terms energy: -70.979462
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: -19.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -228.925029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.925029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.925029 (E_RNA)
where:
Base-Base interactions energy: -159.613
where: short stacking energy: -65.779
Base-Backbone interact. energy: -0.052
local terms energy: -69.260402
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -229.577895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.577895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.577895 (E_RNA)
where:
Base-Base interactions energy: -154.562
where: short stacking energy: -72.034
Base-Backbone interact. energy: -0.367
local terms energy: -74.648486
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -19.149
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: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -220.111835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.111835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.111835 (E_RNA)
where:
Base-Base interactions energy: -158.550
where: short stacking energy: -67.304
Base-Backbone interact. energy: 0.434
local terms energy: -61.996236
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -215.811247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.811247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.811247 (E_RNA)
where:
Base-Base interactions energy: -148.178
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.524
local terms energy: -67.108409
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -16.267
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: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -213.626879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.626879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.626879 (E_RNA)
where:
Base-Base interactions energy: -150.160
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.217
local terms energy: -63.249864
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -79.889912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.889912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.889912 (E_RNA)
where:
Base-Base interactions energy: -31.885
where: short stacking energy: -29.157
Base-Backbone interact. energy: 1.852
local terms energy: -49.857056
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -252.123576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.123576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.123576 (E_RNA)
where:
Base-Base interactions energy: -176.027
where: short stacking energy: -80.970
Base-Backbone interact. energy: -0.216
local terms energy: -75.880238
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -244.345972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.345972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.345972 (E_RNA)
where:
Base-Base interactions energy: -169.964
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.001
local terms energy: -74.380667
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -234.541466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.541466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.541466 (E_RNA)
where:
Base-Base interactions energy: -162.345
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.002
local terms energy: -72.194759
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -239.381630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.381630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.381630 (E_RNA)
where:
Base-Base interactions energy: -162.550
where: short stacking energy: -78.927
Base-Backbone interact. energy: -0.646
local terms energy: -76.185781
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -236.736067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.736067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.736067 (E_RNA)
where:
Base-Base interactions energy: -159.319
where: short stacking energy: -72.196
Base-Backbone interact. energy: -0.003
local terms energy: -77.413778
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -226.698133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.698133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.698133 (E_RNA)
where:
Base-Base interactions energy: -152.644
where: short stacking energy: -71.834
Base-Backbone interact. energy: -0.434
local terms energy: -73.620276
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -18.982
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: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -217.049171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.049171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.049171 (E_RNA)
where:
Base-Base interactions energy: -158.253
where: short stacking energy: -67.096
Base-Backbone interact. energy: -0.041
local terms energy: -58.754848
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -18.819
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: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -220.433235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.433235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.433235 (E_RNA)
where:
Base-Base interactions energy: -149.791
where: short stacking energy: -70.176
Base-Backbone interact. energy: -0.004
local terms energy: -70.637377
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -19.395
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -213.564160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.564160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.564160 (E_RNA)
where:
Base-Base interactions energy: -147.910
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.001
local terms energy: -65.652547
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -87.205188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.205188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.205188 (E_RNA)
where:
Base-Base interactions energy: -33.694
where: short stacking energy: -32.422
Base-Backbone interact. energy: -0.763
local terms energy: -52.747665
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -4.476
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: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -251.434416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.434416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.434416 (E_RNA)
where:
Base-Base interactions energy: -169.249
where: short stacking energy: -75.147
Base-Backbone interact. energy: -0.043
local terms energy: -82.142464
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -19.671
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: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -243.561342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.561342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.561342 (E_RNA)
where:
Base-Base interactions energy: -166.684
where: short stacking energy: -79.900
Base-Backbone interact. energy: -0.007
local terms energy: -76.869772
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -240.986262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.986262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.986262 (E_RNA)
where:
Base-Base interactions energy: -168.330
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.308
local terms energy: -72.347814
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -20.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -242.311338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.311338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.311338 (E_RNA)
where:
Base-Base interactions energy: -170.752
where: short stacking energy: -73.518
Base-Backbone interact. energy: -0.022
local terms energy: -71.537511
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -19.905
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: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -236.279051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.279051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.279051 (E_RNA)
where:
Base-Base interactions energy: -160.137
where: short stacking energy: -70.407
Base-Backbone interact. energy: -0.002
local terms energy: -76.139439
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -21.029
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: 201
Temperature: 1.150000
Total energy: -223.376649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.376649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.376649 (E_RNA)
where:
Base-Base interactions energy: -164.103
where: short stacking energy: -65.493
Base-Backbone interact. energy: -0.425
local terms energy: -58.848282
where:
bonds (distance) C4'-P energy: -7.471
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -6.692
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: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -215.830654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.830654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.830654 (E_RNA)
where:
Base-Base interactions energy: -154.382
where: short stacking energy: -71.816
Base-Backbone interact. energy: -0.008
local terms energy: -61.440821
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -20.598
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: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -221.134127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.134127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.134127 (E_RNA)
where:
Base-Base interactions energy: -153.562
where: short stacking energy: -63.730
Base-Backbone interact. energy: -0.506
local terms energy: -67.065541
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -10.205
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: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -200.418123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.418123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.418123 (E_RNA)
where:
Base-Base interactions energy: -145.642
where: short stacking energy: -58.149
Base-Backbone interact. energy: -0.158
local terms energy: -54.618352
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -12.459
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: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -78.466179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.466179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.466179 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.300
local terms energy: -42.012323
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -249.144869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.144869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.144869 (E_RNA)
where:
Base-Base interactions energy: -172.181
where: short stacking energy: -76.454
Base-Backbone interact. energy: -0.006
local terms energy: -76.957395
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -19.663
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: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -241.077712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.077712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.077712 (E_RNA)
where:
Base-Base interactions energy: -172.266
where: short stacking energy: -77.587
Base-Backbone interact. energy: -0.455
local terms energy: -68.357086
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.526
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: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -234.350137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.350137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.350137 (E_RNA)
where:
Base-Base interactions energy: -164.879
where: short stacking energy: -76.076
Base-Backbone interact. energy: -1.056
local terms energy: -68.415656
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -239.269447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.269447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.269447 (E_RNA)
where:
Base-Base interactions energy: -167.901
where: short stacking energy: -72.790
Base-Backbone interact. energy: -0.132
local terms energy: -71.235890
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -233.097974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.097974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.097974 (E_RNA)
where:
Base-Base interactions energy: -166.194
where: short stacking energy: -75.433
Base-Backbone interact. energy: -0.436
local terms energy: -66.468053
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.099
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: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -215.686904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.686904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.686904 (E_RNA)
where:
Base-Base interactions energy: -153.294
where: short stacking energy: -59.560
Base-Backbone interact. energy: -0.012
local terms energy: -62.380523
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -7.400
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: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -221.391418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.391418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.391418 (E_RNA)
where:
Base-Base interactions energy: -156.040
where: short stacking energy: -69.074
Base-Backbone interact. energy: -0.005
local terms energy: -65.345843
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -219.983205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.983205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.983205 (E_RNA)
where:
Base-Base interactions energy: -154.804
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.445
local terms energy: -64.734398
where:
bonds (distance) C4'-P energy: -8.607
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -208.414663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.414663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.414663 (E_RNA)
where:
Base-Base interactions energy: -144.878
where: short stacking energy: -63.168
Base-Backbone interact. energy: 0.658
local terms energy: -64.194317
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -83.992376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.992376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.992376 (E_RNA)
where:
Base-Base interactions energy: -31.527
where: short stacking energy: -31.527
Base-Backbone interact. energy: -0.344
local terms energy: -52.121620
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -246.460967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.460967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.460967 (E_RNA)
where:
Base-Base interactions energy: -170.807
where: short stacking energy: -74.469
Base-Backbone interact. energy: -0.181
local terms energy: -75.473110
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -243.478036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.478036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.478036 (E_RNA)
where:
Base-Base interactions energy: -173.325
where: short stacking energy: -77.548
Base-Backbone interact. energy: -0.584
local terms energy: -69.568118
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -236.250599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.250599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.250599 (E_RNA)
where:
Base-Base interactions energy: -162.750
where: short stacking energy: -72.218
Base-Backbone interact. energy: -0.122
local terms energy: -73.378734
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -19.147
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: 203
Temperature: 1.050000
Total energy: -235.779260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.779260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.779260 (E_RNA)
where:
Base-Base interactions energy: -162.631
where: short stacking energy: -82.416
Base-Backbone interact. energy: -0.836
local terms energy: -72.311715
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -218.766157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.766157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.766157 (E_RNA)
where:
Base-Base interactions energy: -154.899
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.059
local terms energy: -63.808986
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -17.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -228.561102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.561102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.561102 (E_RNA)
where:
Base-Base interactions energy: -165.586
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.144
local terms energy: -62.830500
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -16.754
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: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -227.982073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.982073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.982073 (E_RNA)
where:
Base-Base interactions energy: -160.104
where: short stacking energy: -71.366
Base-Backbone interact. energy: -1.221
local terms energy: -66.656422
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -208.771203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.771203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.771203 (E_RNA)
where:
Base-Base interactions energy: -140.215
where: short stacking energy: -63.240
Base-Backbone interact. energy: -0.414
local terms energy: -68.142351
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -8.385
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: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -217.361084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.361084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.361084 (E_RNA)
where:
Base-Base interactions energy: -151.137
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.079
local terms energy: -66.144675
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -67.733917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.733917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.733917 (E_RNA)
where:
Base-Base interactions energy: -29.024
where: short stacking energy: -16.435
Base-Backbone interact. energy: -0.216
local terms energy: -38.494289
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -1.506
tors. eta vs tors. theta energy: 2.536
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: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -241.734552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.734552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.734552 (E_RNA)
where:
Base-Base interactions energy: -164.529
where: short stacking energy: -74.914
Base-Backbone interact. energy: -0.280
local terms energy: -76.925135
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -22.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -243.679921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.679921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.679921 (E_RNA)
where:
Base-Base interactions energy: -172.649
where: short stacking energy: -81.583
Base-Backbone interact. energy: -0.001
local terms energy: -71.029494
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -237.915953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.915953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.915953 (E_RNA)
where:
Base-Base interactions energy: -167.708
where: short stacking energy: -78.220
Base-Backbone interact. energy: -0.001
local terms energy: -70.207472
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -229.294902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.294902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.294902 (E_RNA)
where:
Base-Base interactions energy: -160.379
where: short stacking energy: -74.386
Base-Backbone interact. energy: -0.049
local terms energy: -68.867219
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -232.016671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.016671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.016671 (E_RNA)
where:
Base-Base interactions energy: -159.596
where: short stacking energy: -64.716
Base-Backbone interact. energy: -0.386
local terms energy: -72.035261
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -21.294
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: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -227.699776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.699776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.699776 (E_RNA)
where:
Base-Base interactions energy: -156.106
where: short stacking energy: -73.124
Base-Backbone interact. energy: -0.243
local terms energy: -71.351257
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -21.991
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: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -223.692605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.692605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.692605 (E_RNA)
where:
Base-Base interactions energy: -152.515
where: short stacking energy: -77.613
Base-Backbone interact. energy: -0.001
local terms energy: -71.177225
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -209.829590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.829590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.829590 (E_RNA)
where:
Base-Base interactions energy: -149.366
where: short stacking energy: -65.760
Base-Backbone interact. energy: -0.069
local terms energy: -60.394744
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -6.411
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -210.895666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.895666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.895666 (E_RNA)
where:
Base-Base interactions energy: -150.255
where: short stacking energy: -61.500
Base-Backbone interact. energy: -0.342
local terms energy: -60.299124
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -7.168
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: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -78.230727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.230727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.230727 (E_RNA)
where:
Base-Base interactions energy: -32.161
where: short stacking energy: -22.107
Base-Backbone interact. energy: -0.067
local terms energy: -46.002306
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -5.071
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: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -243.203939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.203939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.203939 (E_RNA)
where:
Base-Base interactions energy: -168.679
where: short stacking energy: -73.320
Base-Backbone interact. energy: -0.024
local terms energy: -74.500881
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -247.109878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.109878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.109878 (E_RNA)
where:
Base-Base interactions energy: -175.413
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.294
local terms energy: -71.402747
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -227.854752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.854752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.854752 (E_RNA)
where:
Base-Base interactions energy: -157.054
where: short stacking energy: -69.684
Base-Backbone interact. energy: -0.001
local terms energy: -70.799514
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -236.336734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.336734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.336734 (E_RNA)
where:
Base-Base interactions energy: -165.289
where: short stacking energy: -72.673
Base-Backbone interact. energy: -0.216
local terms energy: -70.831121
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -227.279670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.279670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.279670 (E_RNA)
where:
Base-Base interactions energy: -153.344
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.022
local terms energy: -73.913539
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -223.397354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.397354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.397354 (E_RNA)
where:
Base-Base interactions energy: -152.318
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.048
local terms energy: -71.031217
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -16.230
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: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -228.809506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.809506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.809506 (E_RNA)
where:
Base-Base interactions energy: -157.033
where: short stacking energy: -67.094
Base-Backbone interact. energy: -1.220
local terms energy: -70.556380
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -187.384413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.384413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.384413 (E_RNA)
where:
Base-Base interactions energy: -133.643
where: short stacking energy: -55.553
Base-Backbone interact. energy: -0.776
local terms energy: -52.965213
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -218.206242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.206242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.206242 (E_RNA)
where:
Base-Base interactions energy: -151.805
where: short stacking energy: -75.400
Base-Backbone interact. energy: -0.008
local terms energy: -66.392599
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -17.389
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: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -77.137427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.137427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.137427 (E_RNA)
where:
Base-Base interactions energy: -30.399
where: short stacking energy: -27.484
Base-Backbone interact. energy: -1.166
local terms energy: -45.572562
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -9.779
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -250.788027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.788027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.788027 (E_RNA)
where:
Base-Base interactions energy: -169.940
where: short stacking energy: -82.462
Base-Backbone interact. energy: -0.009
local terms energy: -80.839302
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -245.621960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.621960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.621960 (E_RNA)
where:
Base-Base interactions energy: -173.333
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.075
local terms energy: -72.213131
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -21.262
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: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -238.244440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.244440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.244440 (E_RNA)
where:
Base-Base interactions energy: -163.358
where: short stacking energy: -76.234
Base-Backbone interact. energy: -0.419
local terms energy: -74.467551
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -238.452022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.452022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.452022 (E_RNA)
where:
Base-Base interactions energy: -162.879
where: short stacking energy: -76.034
Base-Backbone interact. energy: -0.222
local terms energy: -75.351224
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -227.680751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.680751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.680751 (E_RNA)
where:
Base-Base interactions energy: -163.070
where: short stacking energy: -70.270
Base-Backbone interact. energy: -0.272
local terms energy: -64.338358
where:
bonds (distance) C4'-P energy: -7.911
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -19.418
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: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -223.894453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.894453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.894453 (E_RNA)
where:
Base-Base interactions energy: -154.374
where: short stacking energy: -69.763
Base-Backbone interact. energy: -0.518
local terms energy: -69.002396
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -18.941
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: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -200.830059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.830059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.830059 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -51.580
Base-Backbone interact. energy: -0.213
local terms energy: -63.794666
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -220.173828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.173828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.173828 (E_RNA)
where:
Base-Base interactions energy: -156.549
where: short stacking energy: -63.747
Base-Backbone interact. energy: -0.002
local terms energy: -63.622651
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -12.386
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: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -200.307114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.307114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.307114 (E_RNA)
where:
Base-Base interactions energy: -137.651
where: short stacking energy: -56.571
Base-Backbone interact. energy: -0.044
local terms energy: -62.612329
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -12.247
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: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -81.820446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.820446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.820446 (E_RNA)
where:
Base-Base interactions energy: -35.683
where: short stacking energy: -21.789
Base-Backbone interact. energy: -0.098
local terms energy: -46.038785
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: 3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -247.120247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.120247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.120247 (E_RNA)
where:
Base-Base interactions energy: -168.788
where: short stacking energy: -79.520
Base-Backbone interact. energy: -0.836
local terms energy: -77.496599
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -244.768659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.768659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.768659 (E_RNA)
where:
Base-Base interactions energy: -170.275
where: short stacking energy: -79.671
Base-Backbone interact. energy: -1.469
local terms energy: -73.024605
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -230.818967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.818967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.818967 (E_RNA)
where:
Base-Base interactions energy: -157.695
where: short stacking energy: -77.118
Base-Backbone interact. energy: -0.663
local terms energy: -72.461473
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -237.001463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.001463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.001463 (E_RNA)
where:
Base-Base interactions energy: -170.778
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.000
local terms energy: -66.222660
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -226.354900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.354900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.354900 (E_RNA)
where:
Base-Base interactions energy: -157.588
where: short stacking energy: -72.434
Base-Backbone interact. energy: -0.001
local terms energy: -68.765811
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -223.728789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.728789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.728789 (E_RNA)
where:
Base-Base interactions energy: -155.617
where: short stacking energy: -67.574
Base-Backbone interact. energy: 0.356
local terms energy: -68.468153
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -225.247036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.247036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.247036 (E_RNA)
where:
Base-Base interactions energy: -154.787
where: short stacking energy: -72.352
Base-Backbone interact. energy: -0.000
local terms energy: -70.459535
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -20.722
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: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -226.428957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.428957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.428957 (E_RNA)
where:
Base-Base interactions energy: -159.314
where: short stacking energy: -72.061
Base-Backbone interact. energy: -0.058
local terms energy: -67.056624
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -8.227
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -213.064895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.064895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.064895 (E_RNA)
where:
Base-Base interactions energy: -149.257
where: short stacking energy: -65.719
Base-Backbone interact. energy: -0.401
local terms energy: -63.407370
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -78.298396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.298396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.298396 (E_RNA)
where:
Base-Base interactions energy: -32.089
where: short stacking energy: -26.767
Base-Backbone interact. energy: -0.316
local terms energy: -45.893426
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: 2.863
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: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -246.301356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.301356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.301356 (E_RNA)
where:
Base-Base interactions energy: -168.349
where: short stacking energy: -74.552
Base-Backbone interact. energy: -0.294
local terms energy: -77.658182
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -238.310637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.310637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.310637 (E_RNA)
where:
Base-Base interactions energy: -163.879
where: short stacking energy: -76.058
Base-Backbone interact. energy: -0.000
local terms energy: -74.431710
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -238.003254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.003254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.003254 (E_RNA)
where:
Base-Base interactions energy: -159.313
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.017
local terms energy: -78.673561
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -236.678187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.678187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.678187 (E_RNA)
where:
Base-Base interactions energy: -165.469
where: short stacking energy: -75.589
Base-Backbone interact. energy: -0.000
local terms energy: -71.209181
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -235.228998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.228998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.228998 (E_RNA)
where:
Base-Base interactions energy: -160.768
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.001
local terms energy: -74.459547
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -12.902
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: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -222.387522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.387522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.387522 (E_RNA)
where:
Base-Base interactions energy: -153.859
where: short stacking energy: -67.526
Base-Backbone interact. energy: -0.625
local terms energy: -67.903178
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -17.732
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: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -233.564927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.564927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.564927 (E_RNA)
where:
Base-Base interactions energy: -167.782
where: short stacking energy: -66.837
Base-Backbone interact. energy: -0.097
local terms energy: -65.686456
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -9.059
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: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -220.539426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.539426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.539426 (E_RNA)
where:
Base-Base interactions energy: -153.789
where: short stacking energy: -73.226
Base-Backbone interact. energy: -0.031
local terms energy: -66.719730
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -203.723832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.723832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.723832 (E_RNA)
where:
Base-Base interactions energy: -139.722
where: short stacking energy: -59.984
Base-Backbone interact. energy: -1.365
local terms energy: -62.636900
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -79.757051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.757051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.757051 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.302
local terms energy: -41.768393
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -2.596
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -246.363369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.363369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.363369 (E_RNA)
where:
Base-Base interactions energy: -169.596
where: short stacking energy: -75.358
Base-Backbone interact. energy: -0.274
local terms energy: -76.493531
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -21.198
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: 209
Temperature: 0.950000
Total energy: -245.212925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.212925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.212925 (E_RNA)
where:
Base-Base interactions energy: -167.649
where: short stacking energy: -79.107
Base-Backbone interact. energy: -0.413
local terms energy: -77.150320
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -20.913
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: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -237.362640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.362640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.362640 (E_RNA)
where:
Base-Base interactions energy: -160.231
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.130
local terms energy: -77.001166
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -18.518
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: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -223.622149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.622149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.622149 (E_RNA)
where:
Base-Base interactions energy: -156.943
where: short stacking energy: -64.637
Base-Backbone interact. energy: -0.002
local terms energy: -66.677831
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -10.246
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: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -235.066331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.066331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.066331 (E_RNA)
where:
Base-Base interactions energy: -158.153
where: short stacking energy: -71.854
Base-Backbone interact. energy: -0.084
local terms energy: -76.829355
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -233.569595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.569595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.569595 (E_RNA)
where:
Base-Base interactions energy: -160.218
where: short stacking energy: -67.220
Base-Backbone interact. energy: -0.240
local terms energy: -73.111114
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -12.351
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: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -216.244623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.244623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.244623 (E_RNA)
where:
Base-Base interactions energy: -143.047
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.423
local terms energy: -72.774415
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -19.023
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: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -204.937597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.937597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.937597 (E_RNA)
where:
Base-Base interactions energy: -136.978
where: short stacking energy: -58.366
Base-Backbone interact. energy: -0.915
local terms energy: -67.044309
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -218.072327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.072327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.072327 (E_RNA)
where:
Base-Base interactions energy: -156.782
where: short stacking energy: -71.975
Base-Backbone interact. energy: 0.392
local terms energy: -61.682105
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -76.227562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.227562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.227562 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -31.989
Base-Backbone interact. energy: -1.754
local terms energy: -40.596252
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -4.634
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -243.045786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.045786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.045786 (E_RNA)
where:
Base-Base interactions energy: -168.026
where: short stacking energy: -79.846
Base-Backbone interact. energy: 1.425
local terms energy: -76.444903
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -20.445
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: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -243.992556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.992556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.992556 (E_RNA)
where:
Base-Base interactions energy: -165.908
where: short stacking energy: -75.835
Base-Backbone interact. energy: -0.013
local terms energy: -78.070894
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -233.127254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.127254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.127254 (E_RNA)
where:
Base-Base interactions energy: -163.636
where: short stacking energy: -67.984
Base-Backbone interact. energy: -0.044
local terms energy: -69.447222
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.430
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: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -233.169150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.169150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.169150 (E_RNA)
where:
Base-Base interactions energy: -159.043
where: short stacking energy: -73.158
Base-Backbone interact. energy: -0.044
local terms energy: -74.081652
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -226.607269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.607269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.607269 (E_RNA)
where:
Base-Base interactions energy: -169.153
where: short stacking energy: -70.713
Base-Backbone interact. energy: -0.535
local terms energy: -56.918567
where:
bonds (distance) C4'-P energy: -6.096
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -229.272003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.272003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.272003 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -64.496
Base-Backbone interact. energy: -0.150
local terms energy: -77.201529
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -19.350
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: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -228.268368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.268368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.268368 (E_RNA)
where:
Base-Base interactions energy: -157.503
where: short stacking energy: -71.389
Base-Backbone interact. energy: -0.061
local terms energy: -70.704326
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -223.678053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.678053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.678053 (E_RNA)
where:
Base-Base interactions energy: -158.831
where: short stacking energy: -75.257
Base-Backbone interact. energy: -0.148
local terms energy: -64.699463
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -17.322
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: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -205.719752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.719752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.719752 (E_RNA)
where:
Base-Base interactions energy: -145.535
where: short stacking energy: -54.488
Base-Backbone interact. energy: -0.580
local terms energy: -59.605046
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -119.919822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.919822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.919822 (E_RNA)
where:
Base-Base interactions energy: -69.736
where: short stacking energy: -32.607
Base-Backbone interact. energy: -0.157
local terms energy: -50.027215
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -5.641
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: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -244.190327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.190327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.190327 (E_RNA)
where:
Base-Base interactions energy: -167.874
where: short stacking energy: -78.186
Base-Backbone interact. energy: -0.125
local terms energy: -76.191921
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -233.386054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.386054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.386054 (E_RNA)
where:
Base-Base interactions energy: -161.587
where: short stacking energy: -73.773
Base-Backbone interact. energy: -0.002
local terms energy: -71.796279
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -18.191
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: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -246.294709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.294709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.294709 (E_RNA)
where:
Base-Base interactions energy: -172.378
where: short stacking energy: -81.094
Base-Backbone interact. energy: -0.148
local terms energy: -73.768998
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -234.668521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.668521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.668521 (E_RNA)
where:
Base-Base interactions energy: -162.247
where: short stacking energy: -72.255
Base-Backbone interact. energy: -0.000
local terms energy: -72.421048
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -234.145425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.145425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.145425 (E_RNA)
where:
Base-Base interactions energy: -162.848
where: short stacking energy: -76.811
Base-Backbone interact. energy: -0.001
local terms energy: -71.296363
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -21.391
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: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -220.668357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.668357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.668357 (E_RNA)
where:
Base-Base interactions energy: -147.017
where: short stacking energy: -59.769
Base-Backbone interact. energy: -0.078
local terms energy: -73.573740
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -224.310014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.310014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.310014 (E_RNA)
where:
Base-Base interactions energy: -158.397
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.005
local terms energy: -65.908562
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -8.144
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: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -215.220707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.220707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.220707 (E_RNA)
where:
Base-Base interactions energy: -152.205
where: short stacking energy: -68.006
Base-Backbone interact. energy: -0.004
local terms energy: -63.011608
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -205.608290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.608290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.608290 (E_RNA)
where:
Base-Base interactions energy: -137.552
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.171
local terms energy: -67.885307
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -6.178
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -117.626320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.626320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.626320 (E_RNA)
where:
Base-Base interactions energy: -73.464
where: short stacking energy: -33.464
Base-Backbone interact. energy: -0.143
local terms energy: -44.018821
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -242.709333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.709333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.709333 (E_RNA)
where:
Base-Base interactions energy: -168.234
where: short stacking energy: -76.295
Base-Backbone interact. energy: -0.351
local terms energy: -74.124850
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -20.006
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: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -234.549021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.549021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.549021 (E_RNA)
where:
Base-Base interactions energy: -159.621
where: short stacking energy: -73.997
Base-Backbone interact. energy: -0.077
local terms energy: -74.851467
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -234.316320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.316320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.316320 (E_RNA)
where:
Base-Base interactions energy: -168.893
where: short stacking energy: -73.335
Base-Backbone interact. energy: 0.010
local terms energy: -65.433358
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -9.829
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -234.464351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.464351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.464351 (E_RNA)
where:
Base-Base interactions energy: -166.210
where: short stacking energy: -79.230
Base-Backbone interact. energy: -0.123
local terms energy: -68.131312
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -234.094131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.094131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.094131 (E_RNA)
where:
Base-Base interactions energy: -159.797
where: short stacking energy: -74.114
Base-Backbone interact. energy: -0.000
local terms energy: -74.296826
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -20.094
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: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -218.813172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.813172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.813172 (E_RNA)
where:
Base-Base interactions energy: -155.790
where: short stacking energy: -65.742
Base-Backbone interact. energy: -0.333
local terms energy: -62.690299
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -227.094370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.094370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.094370 (E_RNA)
where:
Base-Base interactions energy: -158.100
where: short stacking energy: -67.310
Base-Backbone interact. energy: -0.382
local terms energy: -68.611796
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -10.851
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: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -217.233461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.233461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.233461 (E_RNA)
where:
Base-Base interactions energy: -155.850
where: short stacking energy: -65.803
Base-Backbone interact. energy: -0.836
local terms energy: -60.546782
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -14.825
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: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -209.555397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.555397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.555397 (E_RNA)
where:
Base-Base interactions energy: -143.271
where: short stacking energy: -63.632
Base-Backbone interact. energy: -0.001
local terms energy: -66.283937
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -11.058
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: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -77.141516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.141516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.141516 (E_RNA)
where:
Base-Base interactions energy: -37.029
where: short stacking energy: -24.028
Base-Backbone interact. energy: -0.214
local terms energy: -39.897908
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -248.061054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.061054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.061054 (E_RNA)
where:
Base-Base interactions energy: -170.183
where: short stacking energy: -77.851
Base-Backbone interact. energy: -1.779
local terms energy: -76.098941
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -238.369706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.369706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.369706 (E_RNA)
where:
Base-Base interactions energy: -170.621
where: short stacking energy: -76.620
Base-Backbone interact. energy: -0.001
local terms energy: -67.748385
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -17.899
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: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -225.989502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.989502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.989502 (E_RNA)
where:
Base-Base interactions energy: -153.626
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.005
local terms energy: -72.358230
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -10.989
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: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -229.513523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.513523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.513523 (E_RNA)
where:
Base-Base interactions energy: -156.597
where: short stacking energy: -69.837
Base-Backbone interact. energy: -0.812
local terms energy: -72.104616
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -217.064957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.064957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.064957 (E_RNA)
where:
Base-Base interactions energy: -148.947
where: short stacking energy: -65.778
Base-Backbone interact. energy: -0.277
local terms energy: -67.841118
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -14.178
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: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -222.122432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.122432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.122432 (E_RNA)
where:
Base-Base interactions energy: -160.189
where: short stacking energy: -63.295
Base-Backbone interact. energy: -0.252
local terms energy: -61.681188
where:
bonds (distance) C4'-P energy: -8.459
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -9.643
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: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -222.776202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.776202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.776202 (E_RNA)
where:
Base-Base interactions energy: -156.832
where: short stacking energy: -75.446
Base-Backbone interact. energy: -0.047
local terms energy: -65.897361
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -21.405
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: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -223.367283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.367283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.367283 (E_RNA)
where:
Base-Base interactions energy: -154.148
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.024
local terms energy: -69.195883
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -19.841
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: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -205.850294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.850294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.850294 (E_RNA)
where:
Base-Base interactions energy: -143.127
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.756
local terms energy: -61.967122
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -102.529443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.529443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.529443 (E_RNA)
where:
Base-Base interactions energy: -57.850
where: short stacking energy: -28.122
Base-Backbone interact. energy: -0.360
local terms energy: -44.319511
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -248.386135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.386135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.386135 (E_RNA)
where:
Base-Base interactions energy: -168.831
where: short stacking energy: -77.749
Base-Backbone interact. energy: -0.149
local terms energy: -79.405999
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -22.274
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: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -239.960244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.960244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.960244 (E_RNA)
where:
Base-Base interactions energy: -164.535
where: short stacking energy: -75.778
Base-Backbone interact. energy: -0.050
local terms energy: -75.375754
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -239.842208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.842208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.842208 (E_RNA)
where:
Base-Base interactions energy: -165.589
where: short stacking energy: -78.822
Base-Backbone interact. energy: -0.052
local terms energy: -74.201298
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -21.477
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: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -222.689625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.689625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.689625 (E_RNA)
where:
Base-Base interactions energy: -152.185
where: short stacking energy: -70.654
Base-Backbone interact. energy: -0.639
local terms energy: -69.865759
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -223.528305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.528305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.528305 (E_RNA)
where:
Base-Base interactions energy: -157.862
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.302
local terms energy: -65.364643
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -225.998474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.998474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.998474 (E_RNA)
where:
Base-Base interactions energy: -165.046
where: short stacking energy: -78.371
Base-Backbone interact. energy: -0.124
local terms energy: -60.827837
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -232.414744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.414744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.414744 (E_RNA)
where:
Base-Base interactions energy: -162.140
where: short stacking energy: -73.143
Base-Backbone interact. energy: -0.001
local terms energy: -70.274439
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -18.614
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: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -212.691213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.691213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.691213 (E_RNA)
where:
Base-Base interactions energy: -155.880
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.589
local terms energy: -56.222727
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -3.256
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.252
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: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -225.345797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.345797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.345797 (E_RNA)
where:
Base-Base interactions energy: -154.373
where: short stacking energy: -67.549
Base-Backbone interact. energy: 0.448
local terms energy: -71.420224
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -118.911688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.911688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.911688 (E_RNA)
where:
Base-Base interactions energy: -66.851
where: short stacking energy: -31.660
Base-Backbone interact. energy: 0.934
local terms energy: -52.993832
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -7.376
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: 215
Temperature: 0.900000
Total energy: -251.815392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.815392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.815392 (E_RNA)
where:
Base-Base interactions energy: -176.222
where: short stacking energy: -82.022
Base-Backbone interact. energy: -0.055
local terms energy: -75.538289
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -22.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -247.734389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.734389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.734389 (E_RNA)
where:
Base-Base interactions energy: -168.326
where: short stacking energy: -75.505
Base-Backbone interact. energy: -0.001
local terms energy: -79.407491
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -19.329
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: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -236.935307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.935307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.935307 (E_RNA)
where:
Base-Base interactions energy: -161.256
where: short stacking energy: -70.397
Base-Backbone interact. energy: -0.000
local terms energy: -75.678617
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -226.812621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.812621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.812621 (E_RNA)
where:
Base-Base interactions energy: -155.381
where: short stacking energy: -65.730
Base-Backbone interact. energy: -0.228
local terms energy: -71.203705
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -11.848
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: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -226.639295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.639295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.639295 (E_RNA)
where:
Base-Base interactions energy: -160.568
where: short stacking energy: -70.896
Base-Backbone interact. energy: -0.026
local terms energy: -66.044677
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -11.232
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: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -226.940436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.940436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.940436 (E_RNA)
where:
Base-Base interactions energy: -155.742
where: short stacking energy: -66.364
Base-Backbone interact. energy: -0.019
local terms energy: -71.179550
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -18.404
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: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -225.312491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.312491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.312491 (E_RNA)
where:
Base-Base interactions energy: -153.214
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.003
local terms energy: -72.095093
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -19.183
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: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -214.314305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.314305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.314305 (E_RNA)
where:
Base-Base interactions energy: -153.289
where: short stacking energy: -75.854
Base-Backbone interact. energy: -0.362
local terms energy: -60.663085
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -195.926810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.926810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.926810 (E_RNA)
where:
Base-Base interactions energy: -135.692
where: short stacking energy: -52.670
Base-Backbone interact. energy: -0.087
local terms energy: -60.148249
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -8.133
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: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -77.457992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.457992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.457992 (E_RNA)
where:
Base-Base interactions energy: -21.657
where: short stacking energy: -21.657
Base-Backbone interact. energy: -0.001
local terms energy: -55.800143
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -247.970673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.970673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.970673 (E_RNA)
where:
Base-Base interactions energy: -173.001
where: short stacking energy: -74.636
Base-Backbone interact. energy: -0.011
local terms energy: -74.958033
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -238.904884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.904884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.904884 (E_RNA)
where:
Base-Base interactions energy: -164.779
where: short stacking energy: -70.913
Base-Backbone interact. energy: -0.032
local terms energy: -74.094150
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -17.413
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: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -239.453194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.453194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.453194 (E_RNA)
where:
Base-Base interactions energy: -167.623
where: short stacking energy: -78.959
Base-Backbone interact. energy: -0.007
local terms energy: -71.823201
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -20.263
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: 216
Temperature: 1.050000
Total energy: -230.873309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.873309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.873309 (E_RNA)
where:
Base-Base interactions energy: -160.852
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.129
local terms energy: -69.892572
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.744
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: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -229.528586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.528586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.528586 (E_RNA)
where:
Base-Base interactions energy: -168.492
where: short stacking energy: -72.061
Base-Backbone interact. energy: -0.079
local terms energy: -60.957599
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -234.954973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.954973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.954973 (E_RNA)
where:
Base-Base interactions energy: -160.166
where: short stacking energy: -74.453
Base-Backbone interact. energy: -0.001
local terms energy: -74.788290
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -230.065371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.065371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.065371 (E_RNA)
where:
Base-Base interactions energy: -162.967
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.021
local terms energy: -67.077097
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -14.708
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: 216
Temperature: 1.250000
Total energy: -208.474618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.474618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.474618 (E_RNA)
where:
Base-Base interactions energy: -145.622
where: short stacking energy: -62.887
Base-Backbone interact. energy: -0.105
local terms energy: -62.746736
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -9.634
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: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -198.724502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.724502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.724502 (E_RNA)
where:
Base-Base interactions energy: -138.219
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.005
local terms energy: -60.501169
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -15.395
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: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -74.926379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.926379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.926379 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -29.135
Base-Backbone interact. energy: -0.111
local terms energy: -44.902177
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -247.241371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.241371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.241371 (E_RNA)
where:
Base-Base interactions energy: -169.915
where: short stacking energy: -73.780
Base-Backbone interact. energy: -0.042
local terms energy: -77.284779
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -240.570813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.570813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.570813 (E_RNA)
where:
Base-Base interactions energy: -165.794
where: short stacking energy: -77.024
Base-Backbone interact. energy: -0.013
local terms energy: -74.763296
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -18.935
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: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -243.711991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.711991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.711991 (E_RNA)
where:
Base-Base interactions energy: -167.872
where: short stacking energy: -76.786
Base-Backbone interact. energy: -0.645
local terms energy: -75.194704
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -245.867757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.867757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.867757 (E_RNA)
where:
Base-Base interactions energy: -172.525
where: short stacking energy: -70.679
Base-Backbone interact. energy: -0.061
local terms energy: -73.281440
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -18.551
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: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -222.101613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.101613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.101613 (E_RNA)
where:
Base-Base interactions energy: -154.906
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.100
local terms energy: -67.095869
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -217.378544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.378544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.378544 (E_RNA)
where:
Base-Base interactions energy: -147.847
where: short stacking energy: -60.251
Base-Backbone interact. energy: -0.049
local terms energy: -69.482670
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -221.715973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.715973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.715973 (E_RNA)
where:
Base-Base interactions energy: -155.635
where: short stacking energy: -72.076
Base-Backbone interact. energy: -0.307
local terms energy: -65.774143
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -13.542
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: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -221.370060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.370060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.370060 (E_RNA)
where:
Base-Base interactions energy: -154.525
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.317
local terms energy: -66.527985
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -19.336
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: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -207.414315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.414315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.414315 (E_RNA)
where:
Base-Base interactions energy: -146.427
where: short stacking energy: -65.948
Base-Backbone interact. energy: -0.036
local terms energy: -60.951331
where:
bonds (distance) C4'-P energy: -7.215
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -74.829388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.829388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.829388 (E_RNA)
where:
Base-Base interactions energy: -29.163
where: short stacking energy: -22.407
Base-Backbone interact. energy: -0.573
local terms energy: -45.092916
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -241.990082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.990082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.990082 (E_RNA)
where:
Base-Base interactions energy: -166.932
where: short stacking energy: -74.182
Base-Backbone interact. energy: -0.001
local terms energy: -75.057337
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -21.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -243.570059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.570059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.570059 (E_RNA)
where:
Base-Base interactions energy: -169.604
where: short stacking energy: -80.434
Base-Backbone interact. energy: -0.000
local terms energy: -73.965178
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -237.531191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.531191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.531191 (E_RNA)
where:
Base-Base interactions energy: -169.046
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.322
local terms energy: -68.162924
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -16.619
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: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -236.360938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.360938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.360938 (E_RNA)
where:
Base-Base interactions energy: -162.644
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.678
local terms energy: -73.039000
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -20.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -227.218436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.218436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.218436 (E_RNA)
where:
Base-Base interactions energy: -164.416
where: short stacking energy: -71.482
Base-Backbone interact. energy: -0.287
local terms energy: -62.514988
where:
bonds (distance) C4'-P energy: -4.310
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -21.524
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: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -223.702663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.702663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.702663 (E_RNA)
where:
Base-Base interactions energy: -152.730
where: short stacking energy: -66.441
Base-Backbone interact. energy: 0.542
local terms energy: -71.514883
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -14.670
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -223.069805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.069805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.069805 (E_RNA)
where:
Base-Base interactions energy: -147.791
where: short stacking energy: -69.102
Base-Backbone interact. energy: -0.001
local terms energy: -75.278220
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -227.012631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.012631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.012631 (E_RNA)
where:
Base-Base interactions energy: -158.711
where: short stacking energy: -62.661
Base-Backbone interact. energy: -0.002
local terms energy: -68.300210
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -14.261
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: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -205.561995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.561995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.561995 (E_RNA)
where:
Base-Base interactions energy: -142.816
where: short stacking energy: -56.798
Base-Backbone interact. energy: -0.100
local terms energy: -62.645765
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -12.414
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: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -75.636489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.636489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.636489 (E_RNA)
where:
Base-Base interactions energy: -24.326
where: short stacking energy: -23.803
Base-Backbone interact. energy: 1.464
local terms energy: -52.774098
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -245.544030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.544030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.544030 (E_RNA)
where:
Base-Base interactions energy: -168.101
where: short stacking energy: -75.909
Base-Backbone interact. energy: -0.026
local terms energy: -77.417264
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -238.972041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.972041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.972041 (E_RNA)
where:
Base-Base interactions energy: -172.545
where: short stacking energy: -74.685
Base-Backbone interact. energy: -0.019
local terms energy: -66.408578
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -17.786
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: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -242.557962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.557962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.557962 (E_RNA)
where:
Base-Base interactions energy: -172.596
where: short stacking energy: -75.010
Base-Backbone interact. energy: -0.917
local terms energy: -69.045285
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -19.218
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: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -236.853062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.853062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.853062 (E_RNA)
where:
Base-Base interactions energy: -169.611
where: short stacking energy: -74.809
Base-Backbone interact. energy: -0.025
local terms energy: -67.217067
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -17.799
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: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -234.462333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.462333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.462333 (E_RNA)
where:
Base-Base interactions energy: -163.313
where: short stacking energy: -65.416
Base-Backbone interact. energy: 0.283
local terms energy: -71.432527
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -216.837050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.837050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.837050 (E_RNA)
where:
Base-Base interactions energy: -146.916
where: short stacking energy: -63.247
Base-Backbone interact. energy: -0.028
local terms energy: -69.893174
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -220.955156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.955156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.955156 (E_RNA)
where:
Base-Base interactions energy: -166.182
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.102
local terms energy: -54.671806
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -8.456
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -215.436616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.436616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.436616 (E_RNA)
where:
Base-Base interactions energy: -150.382
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.194
local terms energy: -64.859932
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -200.730430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.730430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.730430 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -58.694
Base-Backbone interact. energy: -0.149
local terms energy: -57.485237
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -75.843753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.843753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.843753 (E_RNA)
where:
Base-Base interactions energy: -28.788
where: short stacking energy: -28.762
Base-Backbone interact. energy: -0.140
local terms energy: -46.915561
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -244.526499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.526499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.526499 (E_RNA)
where:
Base-Base interactions energy: -177.271
where: short stacking energy: -70.856
Base-Backbone interact. energy: -0.593
local terms energy: -66.662995
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -8.925
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: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -247.217193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.217193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.217193 (E_RNA)
where:
Base-Base interactions energy: -169.482
where: short stacking energy: -74.604
Base-Backbone interact. energy: -0.000
local terms energy: -77.735367
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -18.513
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: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -238.118145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.118145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.118145 (E_RNA)
where:
Base-Base interactions energy: -167.515
where: short stacking energy: -75.846
Base-Backbone interact. energy: -0.743
local terms energy: -69.860519
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -21.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -228.758075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.758075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.758075 (E_RNA)
where:
Base-Base interactions energy: -160.362
where: short stacking energy: -68.994
Base-Backbone interact. energy: -0.247
local terms energy: -68.148722
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.290
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: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -219.534902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.534902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.534902 (E_RNA)
where:
Base-Base interactions energy: -151.832
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.047
local terms energy: -67.656139
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -223.674253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.674253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.674253 (E_RNA)
where:
Base-Base interactions energy: -157.995
where: short stacking energy: -63.236
Base-Backbone interact. energy: -1.083
local terms energy: -64.595953
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -229.357906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.357906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.357906 (E_RNA)
where:
Base-Base interactions energy: -162.673
where: short stacking energy: -74.574
Base-Backbone interact. energy: 0.333
local terms energy: -67.018502
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -20.694
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: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -217.905783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.905783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.905783 (E_RNA)
where:
Base-Base interactions energy: -156.560
where: short stacking energy: -61.312
Base-Backbone interact. energy: -0.001
local terms energy: -61.344931
where:
bonds (distance) C4'-P energy: -8.097
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -215.572101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.572101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.572101 (E_RNA)
where:
Base-Base interactions energy: -147.513
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.192
local terms energy: -67.866730
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -70.701890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.701890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.701890 (E_RNA)
where:
Base-Base interactions energy: -24.967
where: short stacking energy: -24.967
Base-Backbone interact. energy: -0.062
local terms energy: -45.673191
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -7.730
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -249.812295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.812295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.812295 (E_RNA)
where:
Base-Base interactions energy: -173.621
where: short stacking energy: -78.589
Base-Backbone interact. energy: -0.041
local terms energy: -76.150401
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -254.363630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.363630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.363630 (E_RNA)
where:
Base-Base interactions energy: -175.537
where: short stacking energy: -82.739
Base-Backbone interact. energy: -0.903
local terms energy: -77.924330
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -243.810322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.810322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.810322 (E_RNA)
where:
Base-Base interactions energy: -169.498
where: short stacking energy: -75.445
Base-Backbone interact. energy: -0.001
local terms energy: -74.311980
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -231.077246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.077246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.077246 (E_RNA)
where:
Base-Base interactions energy: -166.306
where: short stacking energy: -61.477
Base-Backbone interact. energy: -0.236
local terms energy: -64.534829
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -6.529
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: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -231.384627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.384627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.384627 (E_RNA)
where:
Base-Base interactions energy: -161.953
where: short stacking energy: -71.207
Base-Backbone interact. energy: -0.713
local terms energy: -68.718637
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -19.654
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: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -225.604807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.604807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.604807 (E_RNA)
where:
Base-Base interactions energy: -154.539
where: short stacking energy: -75.385
Base-Backbone interact. energy: -0.004
local terms energy: -71.061924
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -230.528369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.528369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.528369 (E_RNA)
where:
Base-Base interactions energy: -167.213
where: short stacking energy: -71.599
Base-Backbone interact. energy: 0.047
local terms energy: -63.362652
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -215.059270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.059270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.059270 (E_RNA)
where:
Base-Base interactions energy: -153.773
where: short stacking energy: -64.669
Base-Backbone interact. energy: -0.088
local terms energy: -61.198178
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -10.040
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -219.145725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.145725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.145725 (E_RNA)
where:
Base-Base interactions energy: -149.075
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.033
local terms energy: -70.037091
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -8.104
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -86.981529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.981529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.981529 (E_RNA)
where:
Base-Base interactions energy: -30.176
where: short stacking energy: -30.176
Base-Backbone interact. energy: -0.044
local terms energy: -56.761447
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -6.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -247.953661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.953661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.953661 (E_RNA)
where:
Base-Base interactions energy: -171.419
where: short stacking energy: -80.362
Base-Backbone interact. energy: -0.001
local terms energy: -76.534363
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -21.753
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: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -244.450972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.450972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.450972 (E_RNA)
where:
Base-Base interactions energy: -166.299
where: short stacking energy: -70.074
Base-Backbone interact. energy: -0.021
local terms energy: -78.130867
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -19.684
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: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -243.058202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.058202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.058202 (E_RNA)
where:
Base-Base interactions energy: -162.750
where: short stacking energy: -71.296
Base-Backbone interact. energy: -0.000
local terms energy: -80.308194
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -19.799
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: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -232.448583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.448583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.448583 (E_RNA)
where:
Base-Base interactions energy: -159.091
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.202
local terms energy: -73.155501
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -221.534939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.534939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.534939 (E_RNA)
where:
Base-Base interactions energy: -153.722
where: short stacking energy: -66.780
Base-Backbone interact. energy: -0.352
local terms energy: -67.461789
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -8.950
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: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -222.262956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.262956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.262956 (E_RNA)
where:
Base-Base interactions energy: -158.930
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.738
local terms energy: -62.594539
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -212.635847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.635847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.635847 (E_RNA)
where:
Base-Base interactions energy: -146.632
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.028
local terms energy: -65.976231
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -18.977
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: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -214.767858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.767858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.767858 (E_RNA)
where:
Base-Base interactions energy: -153.512
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.535
local terms energy: -60.721711
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -13.625
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -215.947880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.947880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.947880 (E_RNA)
where:
Base-Base interactions energy: -151.644
where: short stacking energy: -63.424
Base-Backbone interact. energy: -1.032
local terms energy: -63.271935
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -11.736
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: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -75.967346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.967346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.967346 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.084
local terms energy: -44.368880
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -245.702684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.702684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.702684 (E_RNA)
where:
Base-Base interactions energy: -163.080
where: short stacking energy: -79.275
Base-Backbone interact. energy: -0.781
local terms energy: -81.841969
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -21.589
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: 223
Temperature: 0.950000
Total energy: -243.327571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.327571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.327571 (E_RNA)
where:
Base-Base interactions energy: -171.632
where: short stacking energy: -80.188
Base-Backbone interact. energy: -0.587
local terms energy: -71.108586
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -239.387141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.387141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.387141 (E_RNA)
where:
Base-Base interactions energy: -168.436
where: short stacking energy: -74.227
Base-Backbone interact. energy: -0.156
local terms energy: -70.794563
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -234.044180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.044180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.044180 (E_RNA)
where:
Base-Base interactions energy: -160.314
where: short stacking energy: -73.744
Base-Backbone interact. energy: -0.001
local terms energy: -73.729802
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -20.698
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: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -235.623001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.623001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.623001 (E_RNA)
where:
Base-Base interactions energy: -166.366
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.060
local terms energy: -69.196647
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -19.954
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: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -210.129156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.129156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.129156 (E_RNA)
where:
Base-Base interactions energy: -150.255
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.095
local terms energy: -59.779564
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -219.021418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.021418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.021418 (E_RNA)
where:
Base-Base interactions energy: -148.917
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.039
local terms energy: -70.065413
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -17.020
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: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -217.433894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.433894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.433894 (E_RNA)
where:
Base-Base interactions energy: -150.131
where: short stacking energy: -63.280
Base-Backbone interact. energy: -0.589
local terms energy: -66.713774
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -209.251809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.251809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.251809 (E_RNA)
where:
Base-Base interactions energy: -145.836
where: short stacking energy: -59.221
Base-Backbone interact. energy: -0.048
local terms energy: -63.367636
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -77.025800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.025800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.025800 (E_RNA)
where:
Base-Base interactions energy: -25.421
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.033
local terms energy: -51.571630
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -247.016557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.016557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.016557 (E_RNA)
where:
Base-Base interactions energy: -173.334
where: short stacking energy: -75.961
Base-Backbone interact. energy: -0.156
local terms energy: -73.526143
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -241.038248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.038248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.038248 (E_RNA)
where:
Base-Base interactions energy: -175.437
where: short stacking energy: -79.932
Base-Backbone interact. energy: -0.260
local terms energy: -65.341328
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -234.034928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.034928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.034928 (E_RNA)
where:
Base-Base interactions energy: -170.024
where: short stacking energy: -68.590
Base-Backbone interact. energy: -0.691
local terms energy: -63.320039
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -13.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -231.664751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.664751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.664751 (E_RNA)
where:
Base-Base interactions energy: -158.422
where: short stacking energy: -66.107
Base-Backbone interact. energy: -0.002
local terms energy: -73.240704
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -230.207915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.207915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.207915 (E_RNA)
where:
Base-Base interactions energy: -159.326
where: short stacking energy: -71.482
Base-Backbone interact. energy: 2.331
local terms energy: -73.213408
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -10.672
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: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -221.963608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.963608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.963608 (E_RNA)
where:
Base-Base interactions energy: -155.205
where: short stacking energy: -68.163
Base-Backbone interact. energy: -0.179
local terms energy: -66.579575
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -217.312069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.312069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.312069 (E_RNA)
where:
Base-Base interactions energy: -152.184
where: short stacking energy: -69.437
Base-Backbone interact. energy: -0.010
local terms energy: -65.118150
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -214.601720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.601720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.601720 (E_RNA)
where:
Base-Base interactions energy: -147.839
where: short stacking energy: -67.417
Base-Backbone interact. energy: -0.089
local terms energy: -66.674273
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -213.673701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.673701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.673701 (E_RNA)
where:
Base-Base interactions energy: -150.835
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.143
local terms energy: -62.695658
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -14.145
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: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -86.053039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053039 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -35.407
Base-Backbone interact. energy: 0.735
local terms energy: -46.116613
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -4.684
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: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -252.290983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.290983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.290983 (E_RNA)
where:
Base-Base interactions energy: -169.994
where: short stacking energy: -74.381
Base-Backbone interact. energy: -0.483
local terms energy: -81.814772
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -247.190816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.190816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.190816 (E_RNA)
where:
Base-Base interactions energy: -163.156
where: short stacking energy: -76.974
Base-Backbone interact. energy: -0.458
local terms energy: -83.576568
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -238.512129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.512129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.512129 (E_RNA)
where:
Base-Base interactions energy: -165.285
where: short stacking energy: -78.972
Base-Backbone interact. energy: -0.029
local terms energy: -73.198043
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -19.833
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: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -237.358885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.358885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.358885 (E_RNA)
where:
Base-Base interactions energy: -165.634
where: short stacking energy: -77.262
Base-Backbone interact. energy: -0.072
local terms energy: -71.652674
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -219.250878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.250878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.250878 (E_RNA)
where:
Base-Base interactions energy: -154.109
where: short stacking energy: -63.011
Base-Backbone interact. energy: -0.001
local terms energy: -65.141722
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -12.036
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: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -224.641269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.641269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.641269 (E_RNA)
where:
Base-Base interactions energy: -156.892
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.039
local terms energy: -67.710244
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -19.018
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: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -218.988944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.988944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.988944 (E_RNA)
where:
Base-Base interactions energy: -149.756
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.619
local terms energy: -68.614731
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -18.909
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: 225
Temperature: 1.250000
Total energy: -214.957159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.957159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.957159 (E_RNA)
where:
Base-Base interactions energy: -153.547
where: short stacking energy: -64.739
Base-Backbone interact. energy: -0.075
local terms energy: -61.335575
where:
bonds (distance) C4'-P energy: -5.559
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -210.023074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.023074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.023074 (E_RNA)
where:
Base-Base interactions energy: -148.297
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.607
local terms energy: -61.119239
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -8.724
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -12.982
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: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -73.150715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.150715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.150715 (E_RNA)
where:
Base-Base interactions energy: -32.662
where: short stacking energy: -32.662
Base-Backbone interact. energy: -0.177
local terms energy: -40.311516
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -242.985960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.985960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.985960 (E_RNA)
where:
Base-Base interactions energy: -170.990
where: short stacking energy: -79.370
Base-Backbone interact. energy: -1.732
local terms energy: -70.263653
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -240.400745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.400745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.400745 (E_RNA)
where:
Base-Base interactions energy: -164.261
where: short stacking energy: -67.786
Base-Backbone interact. energy: -1.080
local terms energy: -75.060321
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -239.457585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.457585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.457585 (E_RNA)
where:
Base-Base interactions energy: -165.388
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.275
local terms energy: -73.794978
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -241.889052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.889052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.889052 (E_RNA)
where:
Base-Base interactions energy: -170.971
where: short stacking energy: -79.944
Base-Backbone interact. energy: -0.042
local terms energy: -70.875791
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -229.590681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.590681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.590681 (E_RNA)
where:
Base-Base interactions energy: -162.041
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.375
local terms energy: -67.174649
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -6.824
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -230.302557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.302557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.302557 (E_RNA)
where:
Base-Base interactions energy: -160.006
where: short stacking energy: -68.574
Base-Backbone interact. energy: -0.072
local terms energy: -70.224800
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -220.373545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.373545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.373545 (E_RNA)
where:
Base-Base interactions energy: -154.220
where: short stacking energy: -68.524
Base-Backbone interact. energy: -0.435
local terms energy: -65.718033
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -220.959548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.959548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.959548 (E_RNA)
where:
Base-Base interactions energy: -149.727
where: short stacking energy: -62.814
Base-Backbone interact. energy: -0.007
local terms energy: -71.225947
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -198.722189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.722189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.722189 (E_RNA)
where:
Base-Base interactions energy: -136.168
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.575
local terms energy: -61.979471
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -83.469545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469545 (E_RNA)
where:
Base-Base interactions energy: -34.919
where: short stacking energy: -15.339
Base-Backbone interact. energy: -0.420
local terms energy: -48.130365
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -0.850
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: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -246.261830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.261830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.261830 (E_RNA)
where:
Base-Base interactions energy: -167.986
where: short stacking energy: -80.114
Base-Backbone interact. energy: -0.012
local terms energy: -78.264504
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -246.597091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.597091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.597091 (E_RNA)
where:
Base-Base interactions energy: -169.934
where: short stacking energy: -78.873
Base-Backbone interact. energy: -0.124
local terms energy: -76.538953
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -19.420
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: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -238.195777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.195777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.195777 (E_RNA)
where:
Base-Base interactions energy: -159.658
where: short stacking energy: -73.010
Base-Backbone interact. energy: -1.222
local terms energy: -77.315981
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -20.332
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: 227
Temperature: 1.050000
Total energy: -239.402581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.402581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.402581 (E_RNA)
where:
Base-Base interactions energy: -165.339
where: short stacking energy: -70.728
Base-Backbone interact. energy: -0.279
local terms energy: -73.784296
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -232.796139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.796139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.796139 (E_RNA)
where:
Base-Base interactions energy: -161.771
where: short stacking energy: -79.450
Base-Backbone interact. energy: -0.478
local terms energy: -70.547521
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -229.880472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.880472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.880472 (E_RNA)
where:
Base-Base interactions energy: -159.773
where: short stacking energy: -65.767
Base-Backbone interact. energy: -1.015
local terms energy: -69.092974
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -18.911
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: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -217.052173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.052173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.052173 (E_RNA)
where:
Base-Base interactions energy: -153.650
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.267
local terms energy: -63.135286
where:
bonds (distance) C4'-P energy: -8.490
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -215.308932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.308932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.308932 (E_RNA)
where:
Base-Base interactions energy: -147.948
where: short stacking energy: -56.643
Base-Backbone interact. energy: -0.087
local terms energy: -67.273628
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -211.096717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.096717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.096717 (E_RNA)
where:
Base-Base interactions energy: -149.505
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.420
local terms energy: -61.171936
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -10.822
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: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -89.435509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.435509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.435509 (E_RNA)
where:
Base-Base interactions energy: -47.768
where: short stacking energy: -29.290
Base-Backbone interact. energy: -1.284
local terms energy: -40.383021
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -9.145
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -3.743
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -243.849067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.849067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.849067 (E_RNA)
where:
Base-Base interactions energy: -163.067
where: short stacking energy: -77.467
Base-Backbone interact. energy: -0.052
local terms energy: -80.729890
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -21.249
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: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -233.255290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.255290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.255290 (E_RNA)
where:
Base-Base interactions energy: -158.168
where: short stacking energy: -73.127
Base-Backbone interact. energy: -0.471
local terms energy: -74.616517
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -19.762
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: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -242.632561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.632561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.632561 (E_RNA)
where:
Base-Base interactions energy: -162.436
where: short stacking energy: -70.786
Base-Backbone interact. energy: -0.122
local terms energy: -80.074947
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -230.692052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.692052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.692052 (E_RNA)
where:
Base-Base interactions energy: -165.537
where: short stacking energy: -71.846
Base-Backbone interact. energy: -0.078
local terms energy: -65.077250
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -240.130617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.130617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.130617 (E_RNA)
where:
Base-Base interactions energy: -167.033
where: short stacking energy: -72.834
Base-Backbone interact. energy: -0.469
local terms energy: -72.628819
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -217.161459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.161459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.161459 (E_RNA)
where:
Base-Base interactions energy: -156.873
where: short stacking energy: -65.141
Base-Backbone interact. energy: -0.153
local terms energy: -60.135405
where:
bonds (distance) C4'-P energy: -8.892
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -229.018669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.018669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.018669 (E_RNA)
where:
Base-Base interactions energy: -156.417
where: short stacking energy: -69.099
Base-Backbone interact. energy: -1.674
local terms energy: -70.928528
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -210.158825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.158825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.158825 (E_RNA)
where:
Base-Base interactions energy: -144.773
where: short stacking energy: -69.811
Base-Backbone interact. energy: -0.402
local terms energy: -64.983295
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -21.960
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: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -95.685338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.685338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.685338 (E_RNA)
where:
Base-Base interactions energy: -43.973
where: short stacking energy: -26.768
Base-Backbone interact. energy: -0.113
local terms energy: -51.599136
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -216.918755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.918755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.918755 (E_RNA)
where:
Base-Base interactions energy: -159.854
where: short stacking energy: -68.887
Base-Backbone interact. energy: -0.027
local terms energy: -57.037478
where:
bonds (distance) C4'-P energy: -7.507
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -244.132397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.132397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.132397 (E_RNA)
where:
Base-Base interactions energy: -168.538
where: short stacking energy: -76.975
Base-Backbone interact. energy: -0.438
local terms energy: -75.157001
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -242.507072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.507072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.507072 (E_RNA)
where:
Base-Base interactions energy: -167.614
where: short stacking energy: -78.021
Base-Backbone interact. energy: -0.829
local terms energy: -74.063922
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -19.527
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: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -236.413287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.413287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.413287 (E_RNA)
where:
Base-Base interactions energy: -163.604
where: short stacking energy: -76.481
Base-Backbone interact. energy: -0.475
local terms energy: -72.334242
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -228.591912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.591912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.591912 (E_RNA)
where:
Base-Base interactions energy: -156.589
where: short stacking energy: -62.701
Base-Backbone interact. energy: -0.288
local terms energy: -71.715048
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -14.361
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: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -223.715759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.715759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.715759 (E_RNA)
where:
Base-Base interactions energy: -160.422
where: short stacking energy: -62.740
Base-Backbone interact. energy: -0.057
local terms energy: -63.237486
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -8.252
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: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -222.164716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.164716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.164716 (E_RNA)
where:
Base-Base interactions energy: -158.282
where: short stacking energy: -66.296
Base-Backbone interact. energy: -0.010
local terms energy: -63.872324
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -224.339451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.339451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.339451 (E_RNA)
where:
Base-Base interactions energy: -152.525
where: short stacking energy: -68.404
Base-Backbone interact. energy: -0.001
local terms energy: -71.813086
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -218.660932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.660932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.660932 (E_RNA)
where:
Base-Base interactions energy: -151.724
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.150
local terms energy: -66.787318
where:
bonds (distance) C4'-P energy: -5.265
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -12.158
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: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -89.678081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.678081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.678081 (E_RNA)
where:
Base-Base interactions energy: -53.694
where: short stacking energy: -26.586
Base-Backbone interact. energy: -0.429
local terms energy: -35.555149
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -1.564
tors. eta vs tors. theta energy: 0.205
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: 229
Temperature: 1.350000
Total energy: -212.555122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.555122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.555122 (E_RNA)
where:
Base-Base interactions energy: -147.290
where: short stacking energy: -65.365
Base-Backbone interact. energy: -0.305
local terms energy: -64.960596
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -17.410
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: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -241.040153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.040153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.040153 (E_RNA)
where:
Base-Base interactions energy: -172.040
where: short stacking energy: -75.463
Base-Backbone interact. energy: -0.147
local terms energy: -68.853324
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -19.203
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: 230
Temperature: 0.950000
Total energy: -235.807140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.807140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.807140 (E_RNA)
where:
Base-Base interactions energy: -164.032
where: short stacking energy: -76.455
Base-Backbone interact. energy: -0.190
local terms energy: -71.585071
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -9.399
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -18.610
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: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -234.574072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.574072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.574072 (E_RNA)
where:
Base-Base interactions energy: -157.778
where: short stacking energy: -71.967
Base-Backbone interact. energy: -0.313
local terms energy: -76.483505
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -237.881036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.881036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.881036 (E_RNA)
where:
Base-Base interactions energy: -159.915
where: short stacking energy: -75.002
Base-Backbone interact. energy: -0.240
local terms energy: -77.726936
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -225.090579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.090579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.090579 (E_RNA)
where:
Base-Base interactions energy: -163.519
where: short stacking energy: -74.421
Base-Backbone interact. energy: -0.003
local terms energy: -61.569083
where:
bonds (distance) C4'-P energy: -6.364
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -9.347
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: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -220.246315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.246315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.246315 (E_RNA)
where:
Base-Base interactions energy: -153.149
where: short stacking energy: -66.412
Base-Backbone interact. energy: 0.928
local terms energy: -68.025362
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -218.565069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.565069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.565069 (E_RNA)
where:
Base-Base interactions energy: -153.127
where: short stacking energy: -69.455
Base-Backbone interact. energy: -0.000
local terms energy: -65.437927
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -207.985766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.985766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.985766 (E_RNA)
where:
Base-Base interactions energy: -146.608
where: short stacking energy: -56.081
Base-Backbone interact. energy: -0.076
local terms energy: -61.301832
where:
bonds (distance) C4'-P energy: -3.940
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -11.395
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: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -208.618987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.618987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.618987 (E_RNA)
where:
Base-Base interactions energy: -143.739
where: short stacking energy: -57.929
Base-Backbone interact. energy: -0.575
local terms energy: -64.305281
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -12.270
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: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -84.125641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.125641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.125641 (E_RNA)
where:
Base-Base interactions energy: -35.872
where: short stacking energy: -30.380
Base-Backbone interact. energy: -0.115
local terms energy: -48.139098
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -247.288345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.288345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.288345 (E_RNA)
where:
Base-Base interactions energy: -171.677
where: short stacking energy: -76.105
Base-Backbone interact. energy: -0.044
local terms energy: -75.566669
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -241.724444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.724444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.724444 (E_RNA)
where:
Base-Base interactions energy: -168.152
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.782
local terms energy: -72.791123
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -18.042
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: 231
Temperature: 1.000000
Total energy: -229.944167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.944167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.944167 (E_RNA)
where:
Base-Base interactions energy: -156.982
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.004
local terms energy: -72.957844
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -236.285359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.285359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.285359 (E_RNA)
where:
Base-Base interactions energy: -165.148
where: short stacking energy: -69.105
Base-Backbone interact. energy: -0.000
local terms energy: -71.136814
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -12.161
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: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -223.684900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.684900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.684900 (E_RNA)
where:
Base-Base interactions energy: -145.535
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.054
local terms energy: -78.096225
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -230.516294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.516294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.516294 (E_RNA)
where:
Base-Base interactions energy: -157.284
where: short stacking energy: -79.164
Base-Backbone interact. energy: -0.001
local terms energy: -73.231194
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -22.553
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: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -220.190221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.190221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.190221 (E_RNA)
where:
Base-Base interactions energy: -169.171
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.006
local terms energy: -51.013576
where:
bonds (distance) C4'-P energy: -4.856
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.504
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: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -213.737268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.737268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.737268 (E_RNA)
where:
Base-Base interactions energy: -150.023
where: short stacking energy: -63.843
Base-Backbone interact. energy: -0.244
local terms energy: -63.470257
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -16.156
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: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -214.971961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.971961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.971961 (E_RNA)
where:
Base-Base interactions energy: -143.524
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.581
local terms energy: -70.867223
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -13.758
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: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -91.258988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.258988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.258988 (E_RNA)
where:
Base-Base interactions energy: -41.262
where: short stacking energy: -37.623
Base-Backbone interact. energy: -0.017
local terms energy: -49.980335
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -246.844418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.844418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.844418 (E_RNA)
where:
Base-Base interactions energy: -168.758
where: short stacking energy: -74.371
Base-Backbone interact. energy: -1.549
local terms energy: -76.537472
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -21.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -241.214770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.214770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.214770 (E_RNA)
where:
Base-Base interactions energy: -170.312
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.002
local terms energy: -70.901389
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -227.873299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.873299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.873299 (E_RNA)
where:
Base-Base interactions energy: -158.875
where: short stacking energy: -72.688
Base-Backbone interact. energy: -0.450
local terms energy: -68.548303
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -17.880
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: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -233.904317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.904317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.904317 (E_RNA)
where:
Base-Base interactions energy: -161.969
where: short stacking energy: -73.925
Base-Backbone interact. energy: -0.194
local terms energy: -71.741174
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -18.108
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: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -216.375311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.375311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.375311 (E_RNA)
where:
Base-Base interactions energy: -148.238
where: short stacking energy: -59.680
Base-Backbone interact. energy: -0.104
local terms energy: -68.033592
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -10.537
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: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -221.235132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.235132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.235132 (E_RNA)
where:
Base-Base interactions energy: -149.479
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.001
local terms energy: -71.755040
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -18.139
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: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -220.878472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.878472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.878472 (E_RNA)
where:
Base-Base interactions energy: -144.907
where: short stacking energy: -66.367
Base-Backbone interact. energy: -0.032
local terms energy: -75.939853
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -212.446891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.446891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.446891 (E_RNA)
where:
Base-Base interactions energy: -146.472
where: short stacking energy: -63.046
Base-Backbone interact. energy: -0.779
local terms energy: -65.195384
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -216.126615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.126615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.126615 (E_RNA)
where:
Base-Base interactions energy: -153.055
where: short stacking energy: -58.434
Base-Backbone interact. energy: -0.085
local terms energy: -62.986833
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -14.543
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: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -75.267994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.267994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.267994 (E_RNA)
where:
Base-Base interactions energy: -24.738
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.083
local terms energy: -50.446734
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -3.656
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: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -243.074063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.074063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.074063 (E_RNA)
where:
Base-Base interactions energy: -167.672
where: short stacking energy: -74.083
Base-Backbone interact. energy: -0.005
local terms energy: -75.396829
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -233.690113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.690113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.690113 (E_RNA)
where:
Base-Base interactions energy: -168.016
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.578
local terms energy: -65.095636
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -240.279185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.279185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.279185 (E_RNA)
where:
Base-Base interactions energy: -169.100
where: short stacking energy: -76.591
Base-Backbone interact. energy: -0.002
local terms energy: -71.177061
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -232.912919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.912919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.912919 (E_RNA)
where:
Base-Base interactions energy: -162.364
where: short stacking energy: -69.154
Base-Backbone interact. energy: -0.420
local terms energy: -70.128853
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -17.528
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: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -235.382879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.382879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.382879 (E_RNA)
where:
Base-Base interactions energy: -166.201
where: short stacking energy: -71.260
Base-Backbone interact. energy: -0.003
local terms energy: -69.178950
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -16.941
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: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -219.556939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.556939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.556939 (E_RNA)
where:
Base-Base interactions energy: -153.824
where: short stacking energy: -61.352
Base-Backbone interact. energy: -0.835
local terms energy: -64.898227
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -212.015647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.015647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.015647 (E_RNA)
where:
Base-Base interactions energy: -142.740
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.635
local terms energy: -68.641259
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -10.167
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: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -211.413672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.413672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.413672 (E_RNA)
where:
Base-Base interactions energy: -146.126
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.139
local terms energy: -65.148739
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -208.787346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.787346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.787346 (E_RNA)
where:
Base-Base interactions energy: -146.354
where: short stacking energy: -61.261
Base-Backbone interact. energy: -0.025
local terms energy: -62.408190
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -69.276107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.276107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.276107 (E_RNA)
where:
Base-Base interactions energy: -28.599
where: short stacking energy: -28.599
Base-Backbone interact. energy: -1.093
local terms energy: -39.584080
where:
bonds (distance) C4'-P energy: -6.039
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: 0.050
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: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -244.597487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.597487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.597487 (E_RNA)
where:
Base-Base interactions energy: -168.218
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.005
local terms energy: -76.375012
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -243.122356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.122356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.122356 (E_RNA)
where:
Base-Base interactions energy: -170.095
where: short stacking energy: -69.788
Base-Backbone interact. energy: -0.287
local terms energy: -72.739591
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -236.708372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.708372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.708372 (E_RNA)
where:
Base-Base interactions energy: -161.846
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.007
local terms energy: -74.856004
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -246.510475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.510475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.510475 (E_RNA)
where:
Base-Base interactions energy: -169.526
where: short stacking energy: -75.072
Base-Backbone interact. energy: -1.399
local terms energy: -75.586030
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -234.310212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.310212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.310212 (E_RNA)
where:
Base-Base interactions energy: -161.187
where: short stacking energy: -73.800
Base-Backbone interact. energy: -0.005
local terms energy: -73.118188
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -21.951
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -220.873407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.873407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.873407 (E_RNA)
where:
Base-Base interactions energy: -152.975
where: short stacking energy: -62.628
Base-Backbone interact. energy: -0.157
local terms energy: -67.741646
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -14.399
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: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -208.411171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.411171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.411171 (E_RNA)
where:
Base-Base interactions energy: -141.861
where: short stacking energy: -61.607
Base-Backbone interact. energy: -0.065
local terms energy: -66.484885
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -17.228
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: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -214.955892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.955892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.955892 (E_RNA)
where:
Base-Base interactions energy: -150.247
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.000
local terms energy: -64.708654
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -8.723
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -205.987499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.987499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.987499 (E_RNA)
where:
Base-Base interactions energy: -139.195
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.766
local terms energy: -66.025653
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.502
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: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -76.725811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.725811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.725811 (E_RNA)
where:
Base-Base interactions energy: -35.497
where: short stacking energy: -26.167
Base-Backbone interact. energy: 0.272
local terms energy: -41.501263
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -243.004500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.004500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.004500 (E_RNA)
where:
Base-Base interactions energy: -170.327
where: short stacking energy: -77.063
Base-Backbone interact. energy: -0.002
local terms energy: -72.674853
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -237.744363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.744363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.744363 (E_RNA)
where:
Base-Base interactions energy: -173.527
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.095
local terms energy: -64.122386
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -239.873233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.873233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.873233 (E_RNA)
where:
Base-Base interactions energy: -162.200
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.001
local terms energy: -77.672492
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -229.647758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.647758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.647758 (E_RNA)
where:
Base-Base interactions energy: -158.411
where: short stacking energy: -70.299
Base-Backbone interact. energy: -0.121
local terms energy: -71.116234
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -235.272082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.272082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.272082 (E_RNA)
where:
Base-Base interactions energy: -159.667
where: short stacking energy: -68.288
Base-Backbone interact. energy: -0.811
local terms energy: -74.795006
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -19.896
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: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -217.152652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.152652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.152652 (E_RNA)
where:
Base-Base interactions energy: -152.468
where: short stacking energy: -63.178
Base-Backbone interact. energy: -0.005
local terms energy: -64.679592
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -11.911
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: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -228.412866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.412866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.412866 (E_RNA)
where:
Base-Base interactions energy: -161.360
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.042
local terms energy: -67.010844
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -215.390274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.390274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.390274 (E_RNA)
where:
Base-Base interactions energy: -146.544
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.413
local terms energy: -68.432432
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -204.575683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.575683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.575683 (E_RNA)
where:
Base-Base interactions energy: -141.517
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.218
local terms energy: -62.841132
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -15.074
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: 235
Temperature: 1.350000
Total energy: -64.656869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.656869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.656869 (E_RNA)
where:
Base-Base interactions energy: -18.415
where: short stacking energy: -18.415
Base-Backbone interact. energy: -0.203
local terms energy: -46.038858
where:
bonds (distance) C4'-P energy: -5.807
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -244.176493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.176493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.176493 (E_RNA)
where:
Base-Base interactions energy: -170.379
where: short stacking energy: -69.032
Base-Backbone interact. energy: -0.867
local terms energy: -72.930740
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -237.478473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.478473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.478473 (E_RNA)
where:
Base-Base interactions energy: -165.417
where: short stacking energy: -66.429
Base-Backbone interact. energy: -0.570
local terms energy: -71.491976
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -241.617294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.617294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.617294 (E_RNA)
where:
Base-Base interactions energy: -168.289
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.197
local terms energy: -73.131197
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -17.661
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: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -231.453872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.453872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.453872 (E_RNA)
where:
Base-Base interactions energy: -164.275
where: short stacking energy: -71.985
Base-Backbone interact. energy: -0.440
local terms energy: -66.738938
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -16.278
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: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -226.921901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.921901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.921901 (E_RNA)
where:
Base-Base interactions energy: -156.779
where: short stacking energy: -62.957
Base-Backbone interact. energy: -0.002
local terms energy: -70.140750
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -224.070589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.070589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.070589 (E_RNA)
where:
Base-Base interactions energy: -154.264
where: short stacking energy: -59.730
Base-Backbone interact. energy: -0.772
local terms energy: -69.034195
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -13.697
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: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -217.606784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.606784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.606784 (E_RNA)
where:
Base-Base interactions energy: -153.090
where: short stacking energy: -69.672
Base-Backbone interact. energy: -0.000
local terms energy: -64.516073
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -209.324706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.324706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.324706 (E_RNA)
where:
Base-Base interactions energy: -154.542
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.111
local terms energy: -54.672242
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -204.534444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.534444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.534444 (E_RNA)
where:
Base-Base interactions energy: -137.512
where: short stacking energy: -60.949
Base-Backbone interact. energy: -1.198
local terms energy: -65.824342
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -14.309
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: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -81.607218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.607218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.607218 (E_RNA)
where:
Base-Base interactions energy: -38.308
where: short stacking energy: -10.210
Base-Backbone interact. energy: -0.338
local terms energy: -42.961348
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -7.512
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: 2.905
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: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -243.609299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.609299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.609299 (E_RNA)
where:
Base-Base interactions energy: -167.746
where: short stacking energy: -71.847
Base-Backbone interact. energy: -0.007
local terms energy: -75.857152
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -18.165
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: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -239.362576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.362576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.362576 (E_RNA)
where:
Base-Base interactions energy: -167.904
where: short stacking energy: -72.686
Base-Backbone interact. energy: -0.365
local terms energy: -71.093244
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -239.536798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.536798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.536798 (E_RNA)
where:
Base-Base interactions energy: -160.993
where: short stacking energy: -65.187
Base-Backbone interact. energy: -0.580
local terms energy: -77.963960
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -12.482
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: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -233.961502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.961502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.961502 (E_RNA)
where:
Base-Base interactions energy: -161.686
where: short stacking energy: -75.430
Base-Backbone interact. energy: -0.607
local terms energy: -71.668593
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -227.338055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.338055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.338055 (E_RNA)
where:
Base-Base interactions energy: -168.416
where: short stacking energy: -76.277
Base-Backbone interact. energy: -0.282
local terms energy: -58.639813
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -230.068151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.068151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.068151 (E_RNA)
where:
Base-Base interactions energy: -159.829
where: short stacking energy: -67.193
Base-Backbone interact. energy: -0.749
local terms energy: -69.489877
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -215.516410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.516410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.516410 (E_RNA)
where:
Base-Base interactions energy: -151.241
where: short stacking energy: -58.692
Base-Backbone interact. energy: -0.952
local terms energy: -63.323230
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -13.706
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: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -208.486182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.486182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.486182 (E_RNA)
where:
Base-Base interactions energy: -146.662
where: short stacking energy: -61.612
Base-Backbone interact. energy: -0.057
local terms energy: -61.767531
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -207.670827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.670827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.670827 (E_RNA)
where:
Base-Base interactions energy: -138.204
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.442
local terms energy: -69.024500
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -10.923
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: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -73.889406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.889406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.889406 (E_RNA)
where:
Base-Base interactions energy: -27.018
where: short stacking energy: -27.018
Base-Backbone interact. energy: -0.819
local terms energy: -46.053062
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -5.722
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: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -241.441612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.441612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.441612 (E_RNA)
where:
Base-Base interactions energy: -168.194
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.100
local terms energy: -73.148261
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -18.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -240.601062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.601062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.601062 (E_RNA)
where:
Base-Base interactions energy: -162.332
where: short stacking energy: -68.544
Base-Backbone interact. energy: -0.041
local terms energy: -78.227949
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -243.978030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.978030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.978030 (E_RNA)
where:
Base-Base interactions energy: -161.938
where: short stacking energy: -78.929
Base-Backbone interact. energy: -0.585
local terms energy: -81.454509
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -234.999867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.999867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.999867 (E_RNA)
where:
Base-Base interactions energy: -164.311
where: short stacking energy: -75.545
Base-Backbone interact. energy: -0.216
local terms energy: -70.472718
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -230.801967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.801967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.801967 (E_RNA)
where:
Base-Base interactions energy: -166.120
where: short stacking energy: -70.583
Base-Backbone interact. energy: -0.102
local terms energy: -64.579602
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -227.850167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.850167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.850167 (E_RNA)
where:
Base-Base interactions energy: -167.633
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.005
local terms energy: -60.211516
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -19.358
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: 238
Temperature: 1.200000
Total energy: -226.493276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.493276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.493276 (E_RNA)
where:
Base-Base interactions energy: -155.523
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.009
local terms energy: -70.961612
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -214.637551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.637551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.637551 (E_RNA)
where:
Base-Base interactions energy: -151.117
where: short stacking energy: -66.545
Base-Backbone interact. energy: -0.000
local terms energy: -63.520046
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.862
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: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -208.538924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.538924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.538924 (E_RNA)
where:
Base-Base interactions energy: -155.771
where: short stacking energy: -64.698
Base-Backbone interact. energy: -0.861
local terms energy: -51.906257
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -8.262
flat angles P-C4'-P energy: -3.995
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: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -114.197104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.197104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.197104 (E_RNA)
where:
Base-Base interactions energy: -57.231
where: short stacking energy: -50.866
Base-Backbone interact. energy: -0.102
local terms energy: -56.863785
where:
bonds (distance) C4'-P energy: -7.538
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -8.600
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: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -237.529885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.529885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.529885 (E_RNA)
where:
Base-Base interactions energy: -169.259
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.010
local terms energy: -68.260858
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -18.179
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: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -236.093665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.093665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.093665 (E_RNA)
where:
Base-Base interactions energy: -169.101
where: short stacking energy: -63.255
Base-Backbone interact. energy: -1.428
local terms energy: -65.564658
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -8.107
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: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -244.812365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.812365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.812365 (E_RNA)
where:
Base-Base interactions energy: -163.969
where: short stacking energy: -75.116
Base-Backbone interact. energy: -0.005
local terms energy: -80.838808
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -234.406055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.406055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.406055 (E_RNA)
where:
Base-Base interactions energy: -157.248
where: short stacking energy: -70.896
Base-Backbone interact. energy: -0.987
local terms energy: -76.171001
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -233.245557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.245557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.245557 (E_RNA)
where:
Base-Base interactions energy: -164.293
where: short stacking energy: -72.993
Base-Backbone interact. energy: -0.633
local terms energy: -68.319221
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -218.980175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.980175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.980175 (E_RNA)
where:
Base-Base interactions energy: -152.310
where: short stacking energy: -62.830
Base-Backbone interact. energy: -0.011
local terms energy: -66.659212
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -18.397
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: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -216.101095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.101095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.101095 (E_RNA)
where:
Base-Base interactions energy: -155.112
where: short stacking energy: -70.616
Base-Backbone interact. energy: -0.369
local terms energy: -60.619896
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -19.791
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: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -218.942545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.942545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.942545 (E_RNA)
where:
Base-Base interactions energy: -150.349
where: short stacking energy: -62.230
Base-Backbone interact. energy: -0.266
local terms energy: -68.327152
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -8.242
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: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -215.523345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.523345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.523345 (E_RNA)
where:
Base-Base interactions energy: -153.649
where: short stacking energy: -71.320
Base-Backbone interact. energy: -0.004
local terms energy: -61.869850
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -18.140
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: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -78.790273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.790273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.790273 (E_RNA)
where:
Base-Base interactions energy: -29.409
where: short stacking energy: -16.922
Base-Backbone interact. energy: -0.218
local terms energy: -49.163058
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: 0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -242.168748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.168748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.168748 (E_RNA)
where:
Base-Base interactions energy: -172.116
where: short stacking energy: -73.761
Base-Backbone interact. energy: -1.375
local terms energy: -68.677598
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -243.255632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.255632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.255632 (E_RNA)
where:
Base-Base interactions energy: -167.645
where: short stacking energy: -77.896
Base-Backbone interact. energy: -0.006
local terms energy: -75.605281
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -19.533
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: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -247.995275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.995275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.995275 (E_RNA)
where:
Base-Base interactions energy: -163.706
where: short stacking energy: -75.683
Base-Backbone interact. energy: -2.178
local terms energy: -82.111474
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -22.526
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: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -238.631835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.631835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.631835 (E_RNA)
where:
Base-Base interactions energy: -167.762
where: short stacking energy: -82.148
Base-Backbone interact. energy: -2.019
local terms energy: -68.850699
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -224.841410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.841410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.841410 (E_RNA)
where:
Base-Base interactions energy: -156.404
where: short stacking energy: -71.093
Base-Backbone interact. energy: 1.746
local terms energy: -70.183457
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -19.338
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: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -229.366771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.366771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.366771 (E_RNA)
where:
Base-Base interactions energy: -158.282
where: short stacking energy: -64.370
Base-Backbone interact. energy: -0.082
local terms energy: -71.002619
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -211.388469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.388469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.388469 (E_RNA)
where:
Base-Base interactions energy: -146.356
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.470
local terms energy: -64.562715
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -10.134
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: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -205.742868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.742868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.742868 (E_RNA)
where:
Base-Base interactions energy: -148.473
where: short stacking energy: -64.205
Base-Backbone interact. energy: 0.569
local terms energy: -57.838271
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -4.346
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: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -203.298587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.298587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.298587 (E_RNA)
where:
Base-Base interactions energy: -137.050
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.123
local terms energy: -66.125017
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -75.985639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.985639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.985639 (E_RNA)
where:
Base-Base interactions energy: -33.956
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.217
local terms energy: -41.812679
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -5.064
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -8.492
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: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -248.235809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.235809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.235809 (E_RNA)
where:
Base-Base interactions energy: -170.644
where: short stacking energy: -72.304
Base-Backbone interact. energy: -1.572
local terms energy: -76.019867
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -20.892
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: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -241.497741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.497741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.497741 (E_RNA)
where:
Base-Base interactions energy: -161.983
where: short stacking energy: -70.616
Base-Backbone interact. energy: -0.068
local terms energy: -79.446935
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -229.932235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.932235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.932235 (E_RNA)
where:
Base-Base interactions energy: -163.212
where: short stacking energy: -77.592
Base-Backbone interact. energy: -0.280
local terms energy: -66.440096
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -238.226828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.226828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.226828 (E_RNA)
where:
Base-Base interactions energy: -161.391
where: short stacking energy: -76.726
Base-Backbone interact. energy: -0.000
local terms energy: -76.835391
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -19.182
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: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -225.599042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.599042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.599042 (E_RNA)
where:
Base-Base interactions energy: -158.584
where: short stacking energy: -70.133
Base-Backbone interact. energy: -0.966
local terms energy: -66.049000
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -227.789668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.789668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.789668 (E_RNA)
where:
Base-Base interactions energy: -158.744
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.063
local terms energy: -68.983482
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -224.807289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.807289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.807289 (E_RNA)
where:
Base-Base interactions energy: -154.413
where: short stacking energy: -61.295
Base-Backbone interact. energy: -0.750
local terms energy: -69.644590
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -219.238753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.238753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.238753 (E_RNA)
where:
Base-Base interactions energy: -156.011
where: short stacking energy: -68.937
Base-Backbone interact. energy: -0.068
local terms energy: -63.159722
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -222.716691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.716691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.716691 (E_RNA)
where:
Base-Base interactions energy: -159.115
where: short stacking energy: -66.665
Base-Backbone interact. energy: -1.068
local terms energy: -62.533370
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -74.557312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.557312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.557312 (E_RNA)
where:
Base-Base interactions energy: -30.453
where: short stacking energy: -21.276
Base-Backbone interact. energy: 0.426
local terms energy: -44.530130
where:
bonds (distance) C4'-P energy: -7.645
bonds (distance) P-C4' energy: -8.810
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -245.596916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.596916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.596916 (E_RNA)
where:
Base-Base interactions energy: -169.656
where: short stacking energy: -79.725
Base-Backbone interact. energy: 0.611
local terms energy: -76.552107
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -20.678
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: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -246.735485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.735485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.735485 (E_RNA)
where:
Base-Base interactions energy: -166.173
where: short stacking energy: -75.341
Base-Backbone interact. energy: -0.014
local terms energy: -80.548129
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -22.044
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: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -246.239390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.239390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.239390 (E_RNA)
where:
Base-Base interactions energy: -170.040
where: short stacking energy: -79.774
Base-Backbone interact. energy: -1.416
local terms energy: -74.784269
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -21.644
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: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -234.166104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.166104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.166104 (E_RNA)
where:
Base-Base interactions energy: -162.389
where: short stacking energy: -76.179
Base-Backbone interact. energy: -0.750
local terms energy: -71.027562
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -8.601
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -19.877
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: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -228.388250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.388250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.388250 (E_RNA)
where:
Base-Base interactions energy: -161.648
where: short stacking energy: -67.991
Base-Backbone interact. energy: -0.094
local terms energy: -66.645344
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -17.632
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: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -225.463130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.463130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.463130 (E_RNA)
where:
Base-Base interactions energy: -153.769
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.004
local terms energy: -71.689911
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -22.288
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: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -218.506960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.506960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.506960 (E_RNA)
where:
Base-Base interactions energy: -148.946
where: short stacking energy: -61.884
Base-Backbone interact. energy: -0.851
local terms energy: -68.710377
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -13.915
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: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -216.624663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.624663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.624663 (E_RNA)
where:
Base-Base interactions energy: -155.832
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.176
local terms energy: -60.616697
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -211.254031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.254031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.254031 (E_RNA)
where:
Base-Base interactions energy: -148.999
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.007
local terms energy: -62.248033
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -73.509655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.509655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.509655 (E_RNA)
where:
Base-Base interactions energy: -35.343
where: short stacking energy: -22.641
Base-Backbone interact. energy: -0.065
local terms energy: -38.101189
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -4.547
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: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -246.221828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.221828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.221828 (E_RNA)
where:
Base-Base interactions energy: -167.088
where: short stacking energy: -80.290
Base-Backbone interact. energy: -0.839
local terms energy: -78.295351
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -20.249
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: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -235.779349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.779349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.779349 (E_RNA)
where:
Base-Base interactions energy: -163.724
where: short stacking energy: -79.087
Base-Backbone interact. energy: -0.284
local terms energy: -71.772025
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -18.723
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: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -243.117972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.117972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.117972 (E_RNA)
where:
Base-Base interactions energy: -167.044
where: short stacking energy: -79.013
Base-Backbone interact. energy: -0.107
local terms energy: -75.967061
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -241.212935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.212935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.212935 (E_RNA)
where:
Base-Base interactions energy: -167.721
where: short stacking energy: -80.680
Base-Backbone interact. energy: -0.604
local terms energy: -72.887666
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -22.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -236.760301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.760301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.760301 (E_RNA)
where:
Base-Base interactions energy: -160.573
where: short stacking energy: -76.286
Base-Backbone interact. energy: -0.089
local terms energy: -76.098275
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -223.099142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.099142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.099142 (E_RNA)
where:
Base-Base interactions energy: -152.740
where: short stacking energy: -70.914
Base-Backbone interact. energy: -0.000
local terms energy: -70.359145
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -20.439
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: 243
Temperature: 1.200000
Total energy: -219.136849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.136849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.136849 (E_RNA)
where:
Base-Base interactions energy: -154.722
where: short stacking energy: -59.167
Base-Backbone interact. energy: -0.249
local terms energy: -64.165887
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -7.594
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: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -219.282322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.282322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.282322 (E_RNA)
where:
Base-Base interactions energy: -153.573
where: short stacking energy: -67.052
Base-Backbone interact. energy: -0.419
local terms energy: -65.289903
where:
bonds (distance) C4'-P energy: -7.960
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.184
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: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -220.865092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.865092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.865092 (E_RNA)
where:
Base-Base interactions energy: -154.002
where: short stacking energy: -70.798
Base-Backbone interact. energy: -0.013
local terms energy: -66.849911
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -14.994
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: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -70.770037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.770037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.770037 (E_RNA)
where:
Base-Base interactions energy: -26.183
where: short stacking energy: -24.042
Base-Backbone interact. energy: -0.205
local terms energy: -44.381485
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: 0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -247.351468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.351468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.351468 (E_RNA)
where:
Base-Base interactions energy: -170.860
where: short stacking energy: -71.166
Base-Backbone interact. energy: -0.606
local terms energy: -75.885383
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -241.742974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.742974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.742974 (E_RNA)
where:
Base-Base interactions energy: -171.173
where: short stacking energy: -68.249
Base-Backbone interact. energy: -1.133
local terms energy: -69.437611
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -16.982
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: 244
Temperature: 1.000000
Total energy: -248.994022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994022 (E_RNA)
where:
Base-Base interactions energy: -174.088
where: short stacking energy: -75.788
Base-Backbone interact. energy: -1.767
local terms energy: -73.138523
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -230.025010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.025010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.025010 (E_RNA)
where:
Base-Base interactions energy: -163.191
where: short stacking energy: -77.628
Base-Backbone interact. energy: -0.002
local terms energy: -66.831566
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -19.803
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: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -228.459286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.459286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.459286 (E_RNA)
where:
Base-Base interactions energy: -157.397
where: short stacking energy: -68.071
Base-Backbone interact. energy: -0.004
local terms energy: -71.058190
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -235.336361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.336361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.336361 (E_RNA)
where:
Base-Base interactions energy: -161.824
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.158
local terms energy: -73.354090
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -12.709
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: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -212.871584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.871584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.871584 (E_RNA)
where:
Base-Base interactions energy: -152.279
where: short stacking energy: -60.736
Base-Backbone interact. energy: -0.003
local terms energy: -60.590363
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -8.694
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -10.133
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: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -214.055992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.055992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.055992 (E_RNA)
where:
Base-Base interactions energy: -155.412
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.023
local terms energy: -58.621172
where:
bonds (distance) C4'-P energy: -7.112
bonds (distance) P-C4' energy: -8.491
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.498
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: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -208.270459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.270459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.270459 (E_RNA)
where:
Base-Base interactions energy: -148.386
where: short stacking energy: -53.398
Base-Backbone interact. energy: -0.735
local terms energy: -59.149334
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.324
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: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -84.881256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.881256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.881256 (E_RNA)
where:
Base-Base interactions energy: -39.209
where: short stacking energy: -23.910
Base-Backbone interact. energy: -0.479
local terms energy: -45.193549
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -6.564
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -247.153963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.153963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.153963 (E_RNA)
where:
Base-Base interactions energy: -165.888
where: short stacking energy: -79.276
Base-Backbone interact. energy: -0.001
local terms energy: -81.264613
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -238.632413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.632413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.632413 (E_RNA)
where:
Base-Base interactions energy: -165.336
where: short stacking energy: -69.841
Base-Backbone interact. energy: -0.002
local terms energy: -73.294427
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -229.887673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.887673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.887673 (E_RNA)
where:
Base-Base interactions energy: -159.678
where: short stacking energy: -67.227
Base-Backbone interact. energy: -0.072
local terms energy: -70.137264
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -20.131
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: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -230.770101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.770101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.770101 (E_RNA)
where:
Base-Base interactions energy: -157.300
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.278
local terms energy: -73.192105
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -12.349
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: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -235.778763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.778763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.778763 (E_RNA)
where:
Base-Base interactions energy: -164.853
where: short stacking energy: -74.673
Base-Backbone interact. energy: -0.142
local terms energy: -70.783885
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -20.776
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: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -221.280943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.280943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.280943 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -69.892
Base-Backbone interact. energy: -0.187
local terms energy: -71.715504
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -17.608
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: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -208.533218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.533218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.533218 (E_RNA)
where:
Base-Base interactions energy: -135.381
where: short stacking energy: -61.002
Base-Backbone interact. energy: -0.002
local terms energy: -73.150833
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -209.329653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.329653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.329653 (E_RNA)
where:
Base-Base interactions energy: -147.290
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.005
local terms energy: -62.035165
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -182.893214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.893214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.893214 (E_RNA)
where:
Base-Base interactions energy: -119.409
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.068
local terms energy: -63.415533
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -69.818627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.818627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.818627 (E_RNA)
where:
Base-Base interactions energy: -22.809
where: short stacking energy: -20.132
Base-Backbone interact. energy: -0.283
local terms energy: -46.726453
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: 1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -247.991518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.991518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.991518 (E_RNA)
where:
Base-Base interactions energy: -171.685
where: short stacking energy: -74.794
Base-Backbone interact. energy: 0.291
local terms energy: -76.597547
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -238.153162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.153162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.153162 (E_RNA)
where:
Base-Base interactions energy: -164.860
where: short stacking energy: -76.310
Base-Backbone interact. energy: -0.026
local terms energy: -73.267371
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -235.488344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.488344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.488344 (E_RNA)
where:
Base-Base interactions energy: -165.481
where: short stacking energy: -76.651
Base-Backbone interact. energy: -0.669
local terms energy: -69.338905
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -20.709
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: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -230.482765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.482765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.482765 (E_RNA)
where:
Base-Base interactions energy: -159.782
where: short stacking energy: -62.516
Base-Backbone interact. energy: -0.479
local terms energy: -70.221302
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -16.717
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: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -232.533077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.533077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.533077 (E_RNA)
where:
Base-Base interactions energy: -162.994
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.105
local terms energy: -69.433570
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -236.931965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.931965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.931965 (E_RNA)
where:
Base-Base interactions energy: -160.849
where: short stacking energy: -75.322
Base-Backbone interact. energy: -0.682
local terms energy: -75.400836
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -21.027
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: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -228.241583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.241583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.241583 (E_RNA)
where:
Base-Base interactions energy: -158.819
where: short stacking energy: -72.680
Base-Backbone interact. energy: -0.238
local terms energy: -69.184799
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -20.887
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: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -216.573173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.573173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.573173 (E_RNA)
where:
Base-Base interactions energy: -154.647
where: short stacking energy: -61.279
Base-Backbone interact. energy: -0.641
local terms energy: -61.285263
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -10.754
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: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -214.088041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.088041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.088041 (E_RNA)
where:
Base-Base interactions energy: -148.644
where: short stacking energy: -66.494
Base-Backbone interact. energy: -0.001
local terms energy: -65.443227
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -75.312512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.312512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.312512 (E_RNA)
where:
Base-Base interactions energy: -25.121
where: short stacking energy: -23.728
Base-Backbone interact. energy: -0.246
local terms energy: -49.944834
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.522
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: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -245.438078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.438078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.438078 (E_RNA)
where:
Base-Base interactions energy: -169.548
where: short stacking energy: -79.156
Base-Backbone interact. energy: -1.131
local terms energy: -74.758919
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -20.203
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: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -242.062378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.062378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.062378 (E_RNA)
where:
Base-Base interactions energy: -163.194
where: short stacking energy: -73.412
Base-Backbone interact. energy: -0.941
local terms energy: -77.926750
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -249.224896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.224896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.224896 (E_RNA)
where:
Base-Base interactions energy: -172.358
where: short stacking energy: -80.261
Base-Backbone interact. energy: -1.761
local terms energy: -75.106176
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -21.593
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: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -229.252732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.252732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.252732 (E_RNA)
where:
Base-Base interactions energy: -156.801
where: short stacking energy: -71.727
Base-Backbone interact. energy: -0.001
local terms energy: -72.450644
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -233.680224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.680224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.680224 (E_RNA)
where:
Base-Base interactions energy: -161.194
where: short stacking energy: -76.025
Base-Backbone interact. energy: -0.279
local terms energy: -72.207214
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -221.401385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.401385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.401385 (E_RNA)
where:
Base-Base interactions energy: -155.010
where: short stacking energy: -72.844
Base-Backbone interact. energy: -0.002
local terms energy: -66.389339
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -18.662
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: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -211.241686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.241686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.241686 (E_RNA)
where:
Base-Base interactions energy: -146.710
where: short stacking energy: -54.340
Base-Backbone interact. energy: -0.106
local terms energy: -64.425812
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -10.878
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: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -224.114239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.114239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.114239 (E_RNA)
where:
Base-Base interactions energy: -151.898
where: short stacking energy: -67.444
Base-Backbone interact. energy: -0.130
local terms energy: -72.085875
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -221.830188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.830188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.830188 (E_RNA)
where:
Base-Base interactions energy: -158.557
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.011
local terms energy: -63.261733
where:
bonds (distance) C4'-P energy: -7.795
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -68.050255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.050255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.050255 (E_RNA)
where:
Base-Base interactions energy: -17.876
where: short stacking energy: -17.876
Base-Backbone interact. energy: -0.096
local terms energy: -50.077695
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -7.367
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -245.131566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.131566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.131566 (E_RNA)
where:
Base-Base interactions energy: -174.539
where: short stacking energy: -71.971
Base-Backbone interact. energy: -0.698
local terms energy: -69.893801
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -235.527686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.527686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.527686 (E_RNA)
where:
Base-Base interactions energy: -169.997
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.109
local terms energy: -65.421720
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -17.516
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: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -229.235417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.235417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.235417 (E_RNA)
where:
Base-Base interactions energy: -158.958
where: short stacking energy: -72.793
Base-Backbone interact. energy: -0.449
local terms energy: -69.828492
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -7.754
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: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -232.842435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.842435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.842435 (E_RNA)
where:
Base-Base interactions energy: -166.383
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.000
local terms energy: -66.459750
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -228.181186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.181186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.181186 (E_RNA)
where:
Base-Base interactions energy: -165.306
where: short stacking energy: -75.943
Base-Backbone interact. energy: -0.574
local terms energy: -62.300468
where:
bonds (distance) C4'-P energy: -5.807
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -19.343
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: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -235.377509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.377509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.377509 (E_RNA)
where:
Base-Base interactions energy: -166.550
where: short stacking energy: -78.878
Base-Backbone interact. energy: -0.085
local terms energy: -68.742336
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -232.202971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.202971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.202971 (E_RNA)
where:
Base-Base interactions energy: -158.065
where: short stacking energy: -73.780
Base-Backbone interact. energy: 0.034
local terms energy: -74.172084
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -208.596716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.596716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.596716 (E_RNA)
where:
Base-Base interactions energy: -152.905
where: short stacking energy: -64.578
Base-Backbone interact. energy: -0.046
local terms energy: -55.645705
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -9.902
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -208.267657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.267657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.267657 (E_RNA)
where:
Base-Base interactions energy: -145.306
where: short stacking energy: -58.756
Base-Backbone interact. energy: -0.388
local terms energy: -62.572765
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -75.578873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.578873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.578873 (E_RNA)
where:
Base-Base interactions energy: -33.582
where: short stacking energy: -31.338
Base-Backbone interact. energy: -0.007
local terms energy: -41.989714
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -246.964007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.964007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.964007 (E_RNA)
where:
Base-Base interactions energy: -168.777
where: short stacking energy: -75.459
Base-Backbone interact. energy: -0.001
local terms energy: -78.185267
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -240.779547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.779547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.779547 (E_RNA)
where:
Base-Base interactions energy: -166.647
where: short stacking energy: -66.989
Base-Backbone interact. energy: -0.095
local terms energy: -74.037533
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -243.405435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.405435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.405435 (E_RNA)
where:
Base-Base interactions energy: -172.779
where: short stacking energy: -78.344
Base-Backbone interact. energy: -0.162
local terms energy: -70.464133
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -22.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -236.582131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.582131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.582131 (E_RNA)
where:
Base-Base interactions energy: -158.417
where: short stacking energy: -76.316
Base-Backbone interact. energy: -0.041
local terms energy: -78.123812
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -227.420028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.420028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.420028 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -62.401
Base-Backbone interact. energy: -1.316
local terms energy: -69.356704
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -12.146
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: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -221.543227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.543227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.543227 (E_RNA)
where:
Base-Base interactions energy: -156.133
where: short stacking energy: -71.210
Base-Backbone interact. energy: -0.002
local terms energy: -65.409019
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -8.152
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -214.592082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.592082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.592082 (E_RNA)
where:
Base-Base interactions energy: -149.215
where: short stacking energy: -64.381
Base-Backbone interact. energy: -0.871
local terms energy: -64.506393
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -5.714
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -13.276
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: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -217.923787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.923787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.923787 (E_RNA)
where:
Base-Base interactions energy: -160.634
where: short stacking energy: -70.107
Base-Backbone interact. energy: -0.006
local terms energy: -57.283802
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -14.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -209.807327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.807327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.807327 (E_RNA)
where:
Base-Base interactions energy: -147.164
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.018
local terms energy: -62.625399
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -17.443
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: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -71.842101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.842101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.842101 (E_RNA)
where:
Base-Base interactions energy: -36.660
where: short stacking energy: -36.660
Base-Backbone interact. energy: 1.872
local terms energy: -37.053776
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -246.008916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.008916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.008916 (E_RNA)
where:
Base-Base interactions energy: -163.983
where: short stacking energy: -77.911
Base-Backbone interact. energy: -0.013
local terms energy: -82.013327
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -235.569787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.569787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.569787 (E_RNA)
where:
Base-Base interactions energy: -160.736
where: short stacking energy: -67.242
Base-Backbone interact. energy: -0.494
local terms energy: -74.340287
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -19.321
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: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -239.941982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.941982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.941982 (E_RNA)
where:
Base-Base interactions energy: -174.549
where: short stacking energy: -72.742
Base-Backbone interact. energy: -0.874
local terms energy: -64.518753
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -242.267231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.267231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.267231 (E_RNA)
where:
Base-Base interactions energy: -165.745
where: short stacking energy: -76.249
Base-Backbone interact. energy: -0.498
local terms energy: -76.024616
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -235.077663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.077663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.077663 (E_RNA)
where:
Base-Base interactions energy: -175.588
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.140
local terms energy: -59.350157
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -226.912636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.912636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.912636 (E_RNA)
where:
Base-Base interactions energy: -153.946
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.137
local terms energy: -72.829493
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -13.314
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: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -227.860281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.860281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.860281 (E_RNA)
where:
Base-Base interactions energy: -155.030
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.042
local terms energy: -72.788183
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -19.861
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: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -225.984939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.984939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.984939 (E_RNA)
where:
Base-Base interactions energy: -156.399
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.012
local terms energy: -69.573838
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -19.625
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: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -214.687937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.687937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.687937 (E_RNA)
where:
Base-Base interactions energy: -142.143
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.352
local terms energy: -72.192277
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -76.596414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.596414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.596414 (E_RNA)
where:
Base-Base interactions energy: -26.384
where: short stacking energy: -26.384
Base-Backbone interact. energy: -0.031
local terms energy: -50.180875
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: 1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -245.212434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.212434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.212434 (E_RNA)
where:
Base-Base interactions energy: -171.318
where: short stacking energy: -81.491
Base-Backbone interact. energy: -0.239
local terms energy: -73.655962
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -240.762136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.762136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.762136 (E_RNA)
where:
Base-Base interactions energy: -169.936
where: short stacking energy: -80.227
Base-Backbone interact. energy: -0.000
local terms energy: -70.826047
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -241.903046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.903046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.903046 (E_RNA)
where:
Base-Base interactions energy: -164.446
where: short stacking energy: -73.442
Base-Backbone interact. energy: -0.007
local terms energy: -77.450064
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -20.496
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: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -239.559634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.559634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.559634 (E_RNA)
where:
Base-Base interactions energy: -171.706
where: short stacking energy: -74.434
Base-Backbone interact. energy: 0.183
local terms energy: -68.036778
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -233.143371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.143371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.143371 (E_RNA)
where:
Base-Base interactions energy: -161.288
where: short stacking energy: -75.937
Base-Backbone interact. energy: -0.286
local terms energy: -71.569013
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -17.774
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: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -223.287591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.287591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.287591 (E_RNA)
where:
Base-Base interactions energy: -161.303
where: short stacking energy: -72.893
Base-Backbone interact. energy: -0.001
local terms energy: -61.983845
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -226.691740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.691740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.691740 (E_RNA)
where:
Base-Base interactions energy: -154.244
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.295
local terms energy: -72.152990
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -20.408
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: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -211.368295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.368295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.368295 (E_RNA)
where:
Base-Base interactions energy: -149.720
where: short stacking energy: -63.589
Base-Backbone interact. energy: 0.403
local terms energy: -62.052054
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -9.220
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -6.729
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: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -216.795530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.795530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.795530 (E_RNA)
where:
Base-Base interactions energy: -153.774
where: short stacking energy: -64.057
Base-Backbone interact. energy: -0.032
local terms energy: -62.988761
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -92.414023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.414023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.414023 (E_RNA)
where:
Base-Base interactions energy: -44.333
where: short stacking energy: -32.931
Base-Backbone interact. energy: -0.135
local terms energy: -47.945823
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -5.164
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: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -254.569785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.569785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.569785 (E_RNA)
where:
Base-Base interactions energy: -176.742
where: short stacking energy: -82.923
Base-Backbone interact. energy: -0.856
local terms energy: -76.971148
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -20.943
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: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -238.510617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.510617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.510617 (E_RNA)
where:
Base-Base interactions energy: -160.346
where: short stacking energy: -72.788
Base-Backbone interact. energy: -1.218
local terms energy: -76.946915
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -237.730547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.730547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.730547 (E_RNA)
where:
Base-Base interactions energy: -170.944
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.432
local terms energy: -66.355105
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -234.258207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.258207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.258207 (E_RNA)
where:
Base-Base interactions energy: -166.641
where: short stacking energy: -73.787
Base-Backbone interact. energy: -0.042
local terms energy: -67.575393
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -226.957185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.957185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.957185 (E_RNA)
where:
Base-Base interactions energy: -158.790
where: short stacking energy: -72.928
Base-Backbone interact. energy: -0.007
local terms energy: -68.160077
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -219.066356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.066356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.066356 (E_RNA)
where:
Base-Base interactions energy: -152.038
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.189
local terms energy: -66.839617
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -217.566768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.566768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.566768 (E_RNA)
where:
Base-Base interactions energy: -153.363
where: short stacking energy: -60.906
Base-Backbone interact. energy: -0.004
local terms energy: -64.199807
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -17.566
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: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -222.189712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.189712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.189712 (E_RNA)
where:
Base-Base interactions energy: -159.324
where: short stacking energy: -67.174
Base-Backbone interact. energy: 0.791
local terms energy: -63.657047
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -19.359
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: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -212.795137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.795137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.795137 (E_RNA)
where:
Base-Base interactions energy: -148.272
where: short stacking energy: -64.841
Base-Backbone interact. energy: -0.011
local terms energy: -64.511961
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -11.401
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: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -78.443862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.443862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.443862 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -28.547
Base-Backbone interact. energy: -0.243
local terms energy: -41.003979
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: 1.752
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: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -246.898638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.898638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.898638 (E_RNA)
where:
Base-Base interactions energy: -172.121
where: short stacking energy: -75.085
Base-Backbone interact. energy: -1.332
local terms energy: -73.445695
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -242.314922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.314922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.314922 (E_RNA)
where:
Base-Base interactions energy: -160.559
where: short stacking energy: -74.502
Base-Backbone interact. energy: -0.370
local terms energy: -81.386161
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -22.646
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: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -235.607975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.607975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.607975 (E_RNA)
where:
Base-Base interactions energy: -162.600
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.488
local terms energy: -72.519685
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -19.176
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: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -229.754813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.754813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.754813 (E_RNA)
where:
Base-Base interactions energy: -161.268
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.707
local terms energy: -67.780161
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.754
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: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -233.411064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.411064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.411064 (E_RNA)
where:
Base-Base interactions energy: -165.618
where: short stacking energy: -78.998
Base-Backbone interact. energy: -0.296
local terms energy: -67.497080
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -226.978199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.978199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.978199 (E_RNA)
where:
Base-Base interactions energy: -159.563
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.081
local terms energy: -67.334289
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -18.001
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: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -227.151939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.151939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.151939 (E_RNA)
where:
Base-Base interactions energy: -154.867
where: short stacking energy: -71.010
Base-Backbone interact. energy: -0.158
local terms energy: -72.127787
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -220.648933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.648933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.648933 (E_RNA)
where:
Base-Base interactions energy: -153.573
where: short stacking energy: -66.304
Base-Backbone interact. energy: 0.805
local terms energy: -67.880456
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -219.997482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.997482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.997482 (E_RNA)
where:
Base-Base interactions energy: -147.942
where: short stacking energy: -68.646
Base-Backbone interact. energy: -0.236
local terms energy: -71.820391
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -18.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -73.218226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.218226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.218226 (E_RNA)
where:
Base-Base interactions energy: -31.928
where: short stacking energy: -20.895
Base-Backbone interact. energy: -0.181
local terms energy: -41.108787
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -5.959
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: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -246.639103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.639103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.639103 (E_RNA)
where:
Base-Base interactions energy: -168.876
where: short stacking energy: -71.620
Base-Backbone interact. energy: -0.106
local terms energy: -77.657073
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -237.723245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.723245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.723245 (E_RNA)
where:
Base-Base interactions energy: -162.528
where: short stacking energy: -71.874
Base-Backbone interact. energy: -1.072
local terms energy: -74.123029
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -244.261650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.261650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.261650 (E_RNA)
where:
Base-Base interactions energy: -172.307
where: short stacking energy: -80.956
Base-Backbone interact. energy: 0.412
local terms energy: -72.366722
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -240.251632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.251632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.251632 (E_RNA)
where:
Base-Base interactions energy: -164.287
where: short stacking energy: -77.835
Base-Backbone interact. energy: -0.019
local terms energy: -75.945415
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -20.107
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: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -232.981108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.981108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.981108 (E_RNA)
where:
Base-Base interactions energy: -166.757
where: short stacking energy: -70.164
Base-Backbone interact. energy: -0.082
local terms energy: -66.142226
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -221.565103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.565103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.565103 (E_RNA)
where:
Base-Base interactions energy: -151.839
where: short stacking energy: -69.671
Base-Backbone interact. energy: -0.099
local terms energy: -69.626925
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -18.706
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: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -219.667965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.667965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.667965 (E_RNA)
where:
Base-Base interactions energy: -159.565
where: short stacking energy: -65.712
Base-Backbone interact. energy: 0.188
local terms energy: -60.291571
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -16.530
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: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -219.669988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.669988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.669988 (E_RNA)
where:
Base-Base interactions energy: -156.320
where: short stacking energy: -71.559
Base-Backbone interact. energy: -0.003
local terms energy: -63.347028
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -17.805
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: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -204.532138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.532138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.532138 (E_RNA)
where:
Base-Base interactions energy: -142.100
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.536
local terms energy: -61.895700
where:
bonds (distance) C4'-P energy: -7.292
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -12.633
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: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -77.878144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.878144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.878144 (E_RNA)
where:
Base-Base interactions energy: -25.713
where: short stacking energy: -24.322
Base-Backbone interact. energy: -0.036
local terms energy: -52.129067
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -2.739
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: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -250.907555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.907555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.907555 (E_RNA)
where:
Base-Base interactions energy: -170.814
where: short stacking energy: -69.935
Base-Backbone interact. energy: -0.000
local terms energy: -80.093452
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -20.566
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: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -240.690192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.690192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.690192 (E_RNA)
where:
Base-Base interactions energy: -168.357
where: short stacking energy: -72.436
Base-Backbone interact. energy: 0.104
local terms energy: -72.437018
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -234.362401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.362401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.362401 (E_RNA)
where:
Base-Base interactions energy: -157.082
where: short stacking energy: -65.374
Base-Backbone interact. energy: -1.882
local terms energy: -75.398339
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -19.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -238.269691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.269691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.269691 (E_RNA)
where:
Base-Base interactions energy: -162.721
where: short stacking energy: -76.853
Base-Backbone interact. energy: -0.464
local terms energy: -75.084232
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -20.155
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: 255
Temperature: 1.100000
Total energy: -219.959025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.959025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.959025 (E_RNA)
where:
Base-Base interactions energy: -157.448
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.042
local terms energy: -62.469070
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -221.543844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.543844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.543844 (E_RNA)
where:
Base-Base interactions energy: -155.599
where: short stacking energy: -64.494
Base-Backbone interact. energy: -0.151
local terms energy: -65.793292
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -16.042
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: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -212.979686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.979686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.979686 (E_RNA)
where:
Base-Base interactions energy: -148.693
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.010
local terms energy: -64.276199
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -209.535060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.535060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.535060 (E_RNA)
where:
Base-Base interactions energy: -150.352
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.141
local terms energy: -59.041912
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -7.187
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: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -203.643241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.643241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.643241 (E_RNA)
where:
Base-Base interactions energy: -138.744
where: short stacking energy: -58.371
Base-Backbone interact. energy: -0.538
local terms energy: -64.360902
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -82.509292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.509292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.509292 (E_RNA)
where:
Base-Base interactions energy: -29.178
where: short stacking energy: -26.406
Base-Backbone interact. energy: -0.117
local terms energy: -53.214461
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -5.060
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: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -245.664113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.664113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.664113 (E_RNA)
where:
Base-Base interactions energy: -168.147
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.011
local terms energy: -77.506222
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -245.409046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.409046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.409046 (E_RNA)
where:
Base-Base interactions energy: -173.228
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.094
local terms energy: -72.086391
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -244.353781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.353781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.353781 (E_RNA)
where:
Base-Base interactions energy: -166.762
where: short stacking energy: -79.272
Base-Backbone interact. energy: -0.270
local terms energy: -77.322591
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -236.016783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.016783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.016783 (E_RNA)
where:
Base-Base interactions energy: -162.969
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.001
local terms energy: -73.046209
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -19.292
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: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -232.239109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.239109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.239109 (E_RNA)
where:
Base-Base interactions energy: -167.180
where: short stacking energy: -74.160
Base-Backbone interact. energy: -0.018
local terms energy: -65.040716
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -226.600770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.600770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.600770 (E_RNA)
where:
Base-Base interactions energy: -159.297
where: short stacking energy: -63.764
Base-Backbone interact. energy: -0.059
local terms energy: -67.244618
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -222.665673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.665673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.665673 (E_RNA)
where:
Base-Base interactions energy: -158.293
where: short stacking energy: -74.192
Base-Backbone interact. energy: -0.002
local terms energy: -64.370849
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -19.719
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -218.357783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.357783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.357783 (E_RNA)
where:
Base-Base interactions energy: -148.944
where: short stacking energy: -66.545
Base-Backbone interact. energy: -0.000
local terms energy: -69.413175
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -18.533
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: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -201.558064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.558064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.558064 (E_RNA)
where:
Base-Base interactions energy: -140.785
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.371
local terms energy: -60.402550
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -76.796553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.796553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.796553 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -22.923
Base-Backbone interact. energy: -0.437
local terms energy: -46.481346
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -6.966
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: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -246.189619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.189619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.189619 (E_RNA)
where:
Base-Base interactions energy: -172.118
where: short stacking energy: -73.515
Base-Backbone interact. energy: -0.827
local terms energy: -73.244105
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -241.790769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.790769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.790769 (E_RNA)
where:
Base-Base interactions energy: -164.578
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.151
local terms energy: -77.061202
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -231.352177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.352177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.352177 (E_RNA)
where:
Base-Base interactions energy: -163.397
where: short stacking energy: -70.235
Base-Backbone interact. energy: -0.087
local terms energy: -67.868812
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -15.472
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: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -232.891627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.891627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.891627 (E_RNA)
where:
Base-Base interactions energy: -156.833
where: short stacking energy: -76.297
Base-Backbone interact. energy: -0.001
local terms energy: -76.057391
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -228.481430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.481430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.481430 (E_RNA)
where:
Base-Base interactions energy: -157.323
where: short stacking energy: -67.567
Base-Backbone interact. energy: -0.085
local terms energy: -71.073282
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -234.771580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.771580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.771580 (E_RNA)
where:
Base-Base interactions energy: -160.516
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.336
local terms energy: -73.919684
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -216.000590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.000590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.000590 (E_RNA)
where:
Base-Base interactions energy: -157.259
where: short stacking energy: -64.227
Base-Backbone interact. energy: 3.571
local terms energy: -62.312624
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -15.675
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: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -212.401113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.401113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.401113 (E_RNA)
where:
Base-Base interactions energy: -151.857
where: short stacking energy: -65.725
Base-Backbone interact. energy: -0.242
local terms energy: -60.302304
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -200.708995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.708995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.708995 (E_RNA)
where:
Base-Base interactions energy: -145.168
where: short stacking energy: -61.511
Base-Backbone interact. energy: 2.383
local terms energy: -57.923259
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -9.829
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -11.611
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: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -73.612018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.612018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.612018 (E_RNA)
where:
Base-Base interactions energy: -24.143
where: short stacking energy: -24.143
Base-Backbone interact. energy: -0.071
local terms energy: -49.397845
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -250.249196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.249196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.249196 (E_RNA)
where:
Base-Base interactions energy: -171.989
where: short stacking energy: -78.003
Base-Backbone interact. energy: -1.253
local terms energy: -77.007438
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -22.599
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: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -247.723773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.723773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.723773 (E_RNA)
where:
Base-Base interactions energy: -169.979
where: short stacking energy: -79.691
Base-Backbone interact. energy: -0.006
local terms energy: -77.739110
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -239.779895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.779895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.779895 (E_RNA)
where:
Base-Base interactions energy: -167.838
where: short stacking energy: -73.405
Base-Backbone interact. energy: -0.004
local terms energy: -71.938677
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -237.543084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.543084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.543084 (E_RNA)
where:
Base-Base interactions energy: -162.693
where: short stacking energy: -78.960
Base-Backbone interact. energy: -0.001
local terms energy: -74.848688
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -228.463718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.463718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.463718 (E_RNA)
where:
Base-Base interactions energy: -154.340
where: short stacking energy: -68.631
Base-Backbone interact. energy: -0.015
local terms energy: -74.109495
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -222.906018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.906018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.906018 (E_RNA)
where:
Base-Base interactions energy: -156.655
where: short stacking energy: -67.914
Base-Backbone interact. energy: -1.244
local terms energy: -65.007093
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -14.652
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: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -220.660583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.660583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.660583 (E_RNA)
where:
Base-Base interactions energy: -149.834
where: short stacking energy: -73.921
Base-Backbone interact. energy: -0.535
local terms energy: -70.291658
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -217.911897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.911897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.911897 (E_RNA)
where:
Base-Base interactions energy: -154.601
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.171
local terms energy: -63.139389
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -204.606844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.606844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.606844 (E_RNA)
where:
Base-Base interactions energy: -147.595
where: short stacking energy: -66.604
Base-Backbone interact. energy: -0.011
local terms energy: -57.000370
where:
bonds (distance) C4'-P energy: -7.442
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -12.826
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: 258
Temperature: 1.350000
Total energy: -86.200751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.200751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.200751 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.013
local terms energy: -53.826419
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -244.935717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.935717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.935717 (E_RNA)
where:
Base-Base interactions energy: -169.336
where: short stacking energy: -72.795
Base-Backbone interact. energy: -0.520
local terms energy: -75.080107
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -19.589
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: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -245.583451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.583451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.583451 (E_RNA)
where:
Base-Base interactions energy: -172.980
where: short stacking energy: -78.898
Base-Backbone interact. energy: -0.076
local terms energy: -72.527772
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -19.189
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: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -238.670253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.670253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.670253 (E_RNA)
where:
Base-Base interactions energy: -160.684
where: short stacking energy: -75.706
Base-Backbone interact. energy: -0.077
local terms energy: -77.909149
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -22.160
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: 259
Temperature: 1.050000
Total energy: -239.960474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.960474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.960474 (E_RNA)
where:
Base-Base interactions energy: -162.961
where: short stacking energy: -67.820
Base-Backbone interact. energy: -0.531
local terms energy: -76.468411
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -19.841
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: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -235.145693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.145693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.145693 (E_RNA)
where:
Base-Base interactions energy: -163.197
where: short stacking energy: -77.426
Base-Backbone interact. energy: -0.699
local terms energy: -71.250535
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -232.453167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.453167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.453167 (E_RNA)
where:
Base-Base interactions energy: -162.722
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.006
local terms energy: -69.725614
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -15.076
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: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -223.380465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.380465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.380465 (E_RNA)
where:
Base-Base interactions energy: -154.813
where: short stacking energy: -73.126
Base-Backbone interact. energy: -0.240
local terms energy: -68.327349
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -21.702
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: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -211.966201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.966201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.966201 (E_RNA)
where:
Base-Base interactions energy: -159.320
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.926
local terms energy: -51.720064
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -8.786
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -9.179
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: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -208.093647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.093647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.093647 (E_RNA)
where:
Base-Base interactions energy: -140.715
where: short stacking energy: -62.678
Base-Backbone interact. energy: -0.024
local terms energy: -67.354152
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -18.161
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: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -77.813700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.813700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.813700 (E_RNA)
where:
Base-Base interactions energy: -32.103
where: short stacking energy: -15.145
Base-Backbone interact. energy: -0.611
local terms energy: -45.099440
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -8.671
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: 260
Temperature: 0.900000
Total energy: -248.457359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.457359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.457359 (E_RNA)
where:
Base-Base interactions energy: -176.496
where: short stacking energy: -74.778
Base-Backbone interact. energy: -0.050
local terms energy: -71.910817
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -245.817722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.817722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.817722 (E_RNA)
where:
Base-Base interactions energy: -163.815
where: short stacking energy: -75.779
Base-Backbone interact. energy: -2.308
local terms energy: -79.695433
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -244.482257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.482257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.482257 (E_RNA)
where:
Base-Base interactions energy: -167.247
where: short stacking energy: -74.907
Base-Backbone interact. energy: -1.448
local terms energy: -75.787169
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -21.842
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: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -232.999667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.999667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.999667 (E_RNA)
where:
Base-Base interactions energy: -160.303
where: short stacking energy: -66.648
Base-Backbone interact. energy: -0.253
local terms energy: -72.444133
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -240.143720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.143720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.143720 (E_RNA)
where:
Base-Base interactions energy: -166.330
where: short stacking energy: -76.570
Base-Backbone interact. energy: -0.042
local terms energy: -73.772407
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -20.456
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: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -227.534592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.534592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.534592 (E_RNA)
where:
Base-Base interactions energy: -160.851
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.103
local terms energy: -66.580846
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -11.203
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: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -224.596980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596980 (E_RNA)
where:
Base-Base interactions energy: -156.458
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.307
local terms energy: -67.831877
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -231.030781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.030781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.030781 (E_RNA)
where:
Base-Base interactions energy: -157.354
where: short stacking energy: -71.852
Base-Backbone interact. energy: -1.611
local terms energy: -72.065504
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -222.007922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.007922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.007922 (E_RNA)
where:
Base-Base interactions energy: -152.878
where: short stacking energy: -66.420
Base-Backbone interact. energy: -0.460
local terms energy: -68.669876
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -21.082
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: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -83.803192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.803192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.803192 (E_RNA)
where:
Base-Base interactions energy: -28.053
where: short stacking energy: -28.053
Base-Backbone interact. energy: -0.103
local terms energy: -55.647496
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -6.757
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: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -247.633404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.633404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.633404 (E_RNA)
where:
Base-Base interactions energy: -170.974
where: short stacking energy: -77.956
Base-Backbone interact. energy: -0.062
local terms energy: -76.597014
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -18.321
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: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -246.248718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.248718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.248718 (E_RNA)
where:
Base-Base interactions energy: -175.524
where: short stacking energy: -73.972
Base-Backbone interact. energy: -0.219
local terms energy: -70.505669
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -18.841
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: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -241.933303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.933303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.933303 (E_RNA)
where:
Base-Base interactions energy: -170.934
where: short stacking energy: -76.434
Base-Backbone interact. energy: 0.332
local terms energy: -71.330989
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -230.464741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.464741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.464741 (E_RNA)
where:
Base-Base interactions energy: -166.665
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.235
local terms energy: -63.564875
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -230.437871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.437871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.437871 (E_RNA)
where:
Base-Base interactions energy: -156.798
where: short stacking energy: -76.958
Base-Backbone interact. energy: -0.038
local terms energy: -73.601786
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -20.507
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: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -217.248373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.248373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.248373 (E_RNA)
where:
Base-Base interactions energy: -155.405
where: short stacking energy: -66.501
Base-Backbone interact. energy: 0.438
local terms energy: -62.281383
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -3.386
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -17.808
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: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -219.997837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.997837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.997837 (E_RNA)
where:
Base-Base interactions energy: -157.311
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.012
local terms energy: -62.674001
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -16.867
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: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -218.942835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.942835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.942835 (E_RNA)
where:
Base-Base interactions energy: -146.824
where: short stacking energy: -66.339
Base-Backbone interact. energy: -0.007
local terms energy: -72.111758
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -17.741
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: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -199.326955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.326955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.326955 (E_RNA)
where:
Base-Base interactions energy: -138.223
where: short stacking energy: -61.485
Base-Backbone interact. energy: -0.001
local terms energy: -61.102439
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -71.877287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.877287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.877287 (E_RNA)
where:
Base-Base interactions energy: -24.237
where: short stacking energy: -15.768
Base-Backbone interact. energy: 0.664
local terms energy: -48.303871
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -245.875273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.875273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.875273 (E_RNA)
where:
Base-Base interactions energy: -175.589
where: short stacking energy: -67.373
Base-Backbone interact. energy: -0.046
local terms energy: -70.239402
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -11.761
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: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -251.664653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.664653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.664653 (E_RNA)
where:
Base-Base interactions energy: -173.882
where: short stacking energy: -74.374
Base-Backbone interact. energy: -0.002
local terms energy: -77.780598
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -20.946
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: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -238.462043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.462043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.462043 (E_RNA)
where:
Base-Base interactions energy: -164.501
where: short stacking energy: -69.049
Base-Backbone interact. energy: -0.731
local terms energy: -73.230012
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -232.889439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.889439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.889439 (E_RNA)
where:
Base-Base interactions energy: -155.070
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.410
local terms energy: -77.408507
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -19.965
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: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -227.716544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.716544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.716544 (E_RNA)
where:
Base-Base interactions energy: -156.533
where: short stacking energy: -71.198
Base-Backbone interact. energy: -0.003
local terms energy: -71.179834
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -219.749521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.749521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.749521 (E_RNA)
where:
Base-Base interactions energy: -146.379
where: short stacking energy: -63.290
Base-Backbone interact. energy: 0.163
local terms energy: -73.533626
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -213.597913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.597913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.597913 (E_RNA)
where:
Base-Base interactions energy: -151.086
where: short stacking energy: -58.397
Base-Backbone interact. energy: -0.046
local terms energy: -62.465502
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -6.366
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -15.315
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: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -220.353801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.353801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.353801 (E_RNA)
where:
Base-Base interactions energy: -150.523
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.001
local terms energy: -69.830429
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -20.070
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: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -200.019405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.019405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.019405 (E_RNA)
where:
Base-Base interactions energy: -138.044
where: short stacking energy: -56.164
Base-Backbone interact. energy: -0.948
local terms energy: -61.028336
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -14.087
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: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -99.206589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.206589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.206589 (E_RNA)
where:
Base-Base interactions energy: -52.060
where: short stacking energy: -27.320
Base-Backbone interact. energy: -0.918
local terms energy: -46.228263
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -248.196955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.196955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.196955 (E_RNA)
where:
Base-Base interactions energy: -172.899
where: short stacking energy: -78.413
Base-Backbone interact. energy: -0.078
local terms energy: -75.219453
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -21.497
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: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -245.634175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.634175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.634175 (E_RNA)
where:
Base-Base interactions energy: -167.196
where: short stacking energy: -77.771
Base-Backbone interact. energy: -0.209
local terms energy: -78.230156
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -243.745163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.745163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.745163 (E_RNA)
where:
Base-Base interactions energy: -169.874
where: short stacking energy: -72.693
Base-Backbone interact. energy: -0.314
local terms energy: -73.557898
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -14.524
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: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -227.131727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.131727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.131727 (E_RNA)
where:
Base-Base interactions energy: -159.198
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.596
local terms energy: -67.337805
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -238.345525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.345525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.345525 (E_RNA)
where:
Base-Base interactions energy: -167.776
where: short stacking energy: -79.261
Base-Backbone interact. energy: -0.005
local terms energy: -70.564228
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -223.948451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.948451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.948451 (E_RNA)
where:
Base-Base interactions energy: -151.689
where: short stacking energy: -66.268
Base-Backbone interact. energy: 0.312
local terms energy: -72.571461
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -225.375647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.375647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.375647 (E_RNA)
where:
Base-Base interactions energy: -162.576
where: short stacking energy: -75.319
Base-Backbone interact. energy: -0.713
local terms energy: -62.086525
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -18.445
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: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -210.231426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.231426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.231426 (E_RNA)
where:
Base-Base interactions energy: -146.471
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.240
local terms energy: -63.520406
where:
bonds (distance) C4'-P energy: -7.531
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -206.662594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.662594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.662594 (E_RNA)
where:
Base-Base interactions energy: -151.110
where: short stacking energy: -61.917
Base-Backbone interact. energy: -0.002
local terms energy: -55.551191
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -7.698
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: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -115.662577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.662577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.662577 (E_RNA)
where:
Base-Base interactions energy: -66.457
where: short stacking energy: -29.979
Base-Backbone interact. energy: -0.229
local terms energy: -48.976280
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -247.779093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.779093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.779093 (E_RNA)
where:
Base-Base interactions energy: -168.103
where: short stacking energy: -79.700
Base-Backbone interact. energy: -0.040
local terms energy: -79.636229
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -20.220
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: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -246.553534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.553534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.553534 (E_RNA)
where:
Base-Base interactions energy: -173.567
where: short stacking energy: -76.954
Base-Backbone interact. energy: -0.007
local terms energy: -72.979902
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -230.127202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.127202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.127202 (E_RNA)
where:
Base-Base interactions energy: -163.987
where: short stacking energy: -74.047
Base-Backbone interact. energy: -0.125
local terms energy: -66.015746
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -19.004
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: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -233.875258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.875258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.875258 (E_RNA)
where:
Base-Base interactions energy: -163.236
where: short stacking energy: -73.812
Base-Backbone interact. energy: -0.424
local terms energy: -70.215536
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -228.229324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.229324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.229324 (E_RNA)
where:
Base-Base interactions energy: -157.363
where: short stacking energy: -73.466
Base-Backbone interact. energy: 0.901
local terms energy: -71.767637
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.460
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: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -227.104463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.104463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.104463 (E_RNA)
where:
Base-Base interactions energy: -157.910
where: short stacking energy: -63.215
Base-Backbone interact. energy: -0.218
local terms energy: -68.977147
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -200.990011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.990011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.990011 (E_RNA)
where:
Base-Base interactions energy: -144.161
where: short stacking energy: -63.190
Base-Backbone interact. energy: -0.233
local terms energy: -56.596162
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -13.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -216.481035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.481035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.481035 (E_RNA)
where:
Base-Base interactions energy: -150.384
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.094
local terms energy: -66.003074
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -208.095567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.095567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.095567 (E_RNA)
where:
Base-Base interactions energy: -142.510
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.401
local terms energy: -65.184460
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -78.472377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.472377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.472377 (E_RNA)
where:
Base-Base interactions energy: -30.916
where: short stacking energy: -30.916
Base-Backbone interact. energy: -0.236
local terms energy: -47.320599
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -5.708
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: 265
Temperature: 0.900000
Total energy: -253.026620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.026620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.026620 (E_RNA)
where:
Base-Base interactions energy: -175.188
where: short stacking energy: -81.932
Base-Backbone interact. energy: -0.003
local terms energy: -77.835702
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -239.934150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.934150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.934150 (E_RNA)
where:
Base-Base interactions energy: -160.695
where: short stacking energy: -75.208
Base-Backbone interact. energy: -0.001
local terms energy: -79.238248
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -243.054937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.054937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.054937 (E_RNA)
where:
Base-Base interactions energy: -161.924
where: short stacking energy: -74.689
Base-Backbone interact. energy: -0.050
local terms energy: -81.081787
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -242.316569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.316569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.316569 (E_RNA)
where:
Base-Base interactions energy: -162.965
where: short stacking energy: -77.011
Base-Backbone interact. energy: -0.019
local terms energy: -79.332401
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -234.530292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.530292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.530292 (E_RNA)
where:
Base-Base interactions energy: -159.592
where: short stacking energy: -73.783
Base-Backbone interact. energy: -0.610
local terms energy: -74.328304
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -224.199592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.199592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.199592 (E_RNA)
where:
Base-Base interactions energy: -151.822
where: short stacking energy: -65.447
Base-Backbone interact. energy: -0.008
local terms energy: -72.369421
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -10.052
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: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -220.361224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.361224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.361224 (E_RNA)
where:
Base-Base interactions energy: -153.052
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.009
local terms energy: -67.300306
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.039
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: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -212.730952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.730952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.730952 (E_RNA)
where:
Base-Base interactions energy: -145.286
where: short stacking energy: -58.020
Base-Backbone interact. energy: -0.349
local terms energy: -67.096334
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -10.536
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: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -198.048526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.048526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.048526 (E_RNA)
where:
Base-Base interactions energy: -146.225
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.005
local terms energy: -51.818361
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -7.994
flat angles P-C4'-P energy: -9.974
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: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -85.165932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.165932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.165932 (E_RNA)
where:
Base-Base interactions energy: -45.399
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.387
local terms energy: -39.379102
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -244.503645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.503645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.503645 (E_RNA)
where:
Base-Base interactions energy: -169.675
where: short stacking energy: -72.391
Base-Backbone interact. energy: -0.001
local terms energy: -74.827259
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -19.314
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: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -240.985179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.985179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.985179 (E_RNA)
where:
Base-Base interactions energy: -168.430
where: short stacking energy: -76.179
Base-Backbone interact. energy: -0.000
local terms energy: -72.554731
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -247.676088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.676088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.676088 (E_RNA)
where:
Base-Base interactions energy: -169.096
where: short stacking energy: -77.692
Base-Backbone interact. energy: -0.002
local terms energy: -78.578817
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -234.353589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.353589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.353589 (E_RNA)
where:
Base-Base interactions energy: -164.413
where: short stacking energy: -74.558
Base-Backbone interact. energy: -0.012
local terms energy: -69.928515
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -228.072145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.072145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.072145 (E_RNA)
where:
Base-Base interactions energy: -152.507
where: short stacking energy: -69.013
Base-Backbone interact. energy: -0.053
local terms energy: -75.512552
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -224.401768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.401768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.401768 (E_RNA)
where:
Base-Base interactions energy: -162.441
where: short stacking energy: -67.830
Base-Backbone interact. energy: -0.035
local terms energy: -61.925345
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -16.909
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: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -217.461410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.461410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.461410 (E_RNA)
where:
Base-Base interactions energy: -144.892
where: short stacking energy: -60.935
Base-Backbone interact. energy: -0.079
local terms energy: -72.490384
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -216.003076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.003076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.003076 (E_RNA)
where:
Base-Base interactions energy: -146.785
where: short stacking energy: -60.087
Base-Backbone interact. energy: 0.351
local terms energy: -69.569712
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -212.663790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.663790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.663790 (E_RNA)
where:
Base-Base interactions energy: -156.700
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.100
local terms energy: -55.863258
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -76.062992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.062992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.062992 (E_RNA)
where:
Base-Base interactions energy: -35.841
where: short stacking energy: -27.880
Base-Backbone interact. energy: -0.259
local terms energy: -39.962936
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -7.373
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -243.854684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.854684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.854684 (E_RNA)
where:
Base-Base interactions energy: -175.164
where: short stacking energy: -73.996
Base-Backbone interact. energy: -0.008
local terms energy: -68.682619
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -242.301312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.301312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.301312 (E_RNA)
where:
Base-Base interactions energy: -169.022
where: short stacking energy: -77.401
Base-Backbone interact. energy: -0.001
local terms energy: -73.277890
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -21.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -240.048595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.048595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.048595 (E_RNA)
where:
Base-Base interactions energy: -161.325
where: short stacking energy: -70.418
Base-Backbone interact. energy: 0.717
local terms energy: -79.440490
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -234.913834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.913834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.913834 (E_RNA)
where:
Base-Base interactions energy: -162.754
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.191
local terms energy: -71.968482
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -13.024
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: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -228.176200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.176200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.176200 (E_RNA)
where:
Base-Base interactions energy: -161.706
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.101
local terms energy: -66.369385
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -224.984262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.984262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.984262 (E_RNA)
where:
Base-Base interactions energy: -154.085
where: short stacking energy: -71.903
Base-Backbone interact. energy: -1.088
local terms energy: -69.811365
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -212.454227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.454227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.454227 (E_RNA)
where:
Base-Base interactions energy: -153.414
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.734
local terms energy: -58.306347
where:
bonds (distance) C4'-P energy: -7.591
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -209.107047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.107047 (E_RNA)
where:
Base-Base interactions energy: -147.729
where: short stacking energy: -69.806
Base-Backbone interact. energy: 0.279
local terms energy: -61.656713
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -9.226
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: 9, replica: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -202.281386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.281386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.281386 (E_RNA)
where:
Base-Base interactions energy: -141.174
where: short stacking energy: -61.096
Base-Backbone interact. energy: -0.079
local terms energy: -61.028842
where:
bonds (distance) C4'-P energy: -5.112
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -11.049
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: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -75.297066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.297066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.297066 (E_RNA)
where:
Base-Base interactions energy: -23.126
where: short stacking energy: -23.126
Base-Backbone interact. energy: -0.267
local terms energy: -51.904422
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -8.497
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -255.258695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.258695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.258695 (E_RNA)
where:
Base-Base interactions energy: -175.153
where: short stacking energy: -79.100
Base-Backbone interact. energy: -1.022
local terms energy: -79.083561
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -20.850
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: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -240.723138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.723138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.723138 (E_RNA)
where:
Base-Base interactions energy: -160.842
where: short stacking energy: -78.023
Base-Backbone interact. energy: -0.150
local terms energy: -79.731826
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -22.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -240.379440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.379440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.379440 (E_RNA)
where:
Base-Base interactions energy: -168.081
where: short stacking energy: -67.322
Base-Backbone interact. energy: -1.740
local terms energy: -70.558886
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -238.517964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.517964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.517964 (E_RNA)
where:
Base-Base interactions energy: -170.724
where: short stacking energy: -75.211
Base-Backbone interact. energy: -0.240
local terms energy: -67.554469
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -233.793979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.793979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.793979 (E_RNA)
where:
Base-Base interactions energy: -160.571
where: short stacking energy: -67.668
Base-Backbone interact. energy: -0.052
local terms energy: -73.170941
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -17.629
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: 6, replica: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -232.000159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.000159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.000159 (E_RNA)
where:
Base-Base interactions energy: -157.814
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.170
local terms energy: -74.016317
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -223.998260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.998260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.998260 (E_RNA)
where:
Base-Base interactions energy: -158.643
where: short stacking energy: -65.256
Base-Backbone interact. energy: -0.240
local terms energy: -65.115117
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -216.283279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.283279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.283279 (E_RNA)
where:
Base-Base interactions energy: -151.531
where: short stacking energy: -65.284
Base-Backbone interact. energy: -0.104
local terms energy: -64.648517
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.037
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: 9, replica: 2
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -191.869170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.869170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.869170 (E_RNA)
where:
Base-Base interactions energy: -129.307
where: short stacking energy: -59.179
Base-Backbone interact. energy: -0.173
local terms energy: -62.389641
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -12.235
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: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -78.541841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.541841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.541841 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -28.225
Base-Backbone interact. energy: -0.074
local terms energy: -46.865303
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -7.269
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -247.120754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.120754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.120754 (E_RNA)
where:
Base-Base interactions energy: -165.340
where: short stacking energy: -76.379
Base-Backbone interact. energy: -0.172
local terms energy: -81.609198
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -20.618
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: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -236.563414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.563414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.563414 (E_RNA)
where:
Base-Base interactions energy: -159.754
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.717
local terms energy: -76.092742
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -242.076426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.076426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.076426 (E_RNA)
where:
Base-Base interactions energy: -169.901
where: short stacking energy: -78.426
Base-Backbone interact. energy: -0.833
local terms energy: -71.342020
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -237.522734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.522734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.522734 (E_RNA)
where:
Base-Base interactions energy: -167.269
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.010
local terms energy: -70.243933
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -8.058
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: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -232.975927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.975927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.975927 (E_RNA)
where:
Base-Base interactions energy: -165.328
where: short stacking energy: -69.225
Base-Backbone interact. energy: -0.112
local terms energy: -67.535975
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -21.682
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: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -226.234680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.234680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.234680 (E_RNA)
where:
Base-Base interactions energy: -158.409
where: short stacking energy: -71.341
Base-Backbone interact. energy: -0.345
local terms energy: -67.479950
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -221.034292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.034292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.034292 (E_RNA)
where:
Base-Base interactions energy: -154.054
where: short stacking energy: -74.109
Base-Backbone interact. energy: -0.013
local terms energy: -66.967799
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -215.929215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.929215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.929215 (E_RNA)
where:
Base-Base interactions energy: -148.517
where: short stacking energy: -65.183
Base-Backbone interact. energy: -0.011
local terms energy: -67.400982
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -199.372204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.372204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.372204 (E_RNA)
where:
Base-Base interactions energy: -143.538
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.010
local terms energy: -55.824311
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -7.147
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: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -90.231351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.231351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.231351 (E_RNA)
where:
Base-Base interactions energy: -37.382
where: short stacking energy: -37.131
Base-Backbone interact. energy: -0.051
local terms energy: -52.798536
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -10.653
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -246.307799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.307799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.307799 (E_RNA)
where:
Base-Base interactions energy: -168.622
where: short stacking energy: -74.557
Base-Backbone interact. energy: -0.295
local terms energy: -77.390857
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -238.400923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.400923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.400923 (E_RNA)
where:
Base-Base interactions energy: -161.092
where: short stacking energy: -72.735
Base-Backbone interact. energy: -0.630
local terms energy: -76.679150
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -21.478
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: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -237.518213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.518213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.518213 (E_RNA)
where:
Base-Base interactions energy: -164.490
where: short stacking energy: -81.005
Base-Backbone interact. energy: -0.005
local terms energy: -73.023416
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -236.272351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.272351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.272351 (E_RNA)
where:
Base-Base interactions energy: -160.822
where: short stacking energy: -69.092
Base-Backbone interact. energy: -0.699
local terms energy: -74.751609
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -18.130
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: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -232.243336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.243336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.243336 (E_RNA)
where:
Base-Base interactions energy: -166.561
where: short stacking energy: -67.629
Base-Backbone interact. energy: 0.975
local terms energy: -66.657941
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -221.265284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.265284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.265284 (E_RNA)
where:
Base-Base interactions energy: -156.961
where: short stacking energy: -57.317
Base-Backbone interact. energy: -0.002
local terms energy: -64.302812
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -14.524
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: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -224.551645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.551645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.551645 (E_RNA)
where:
Base-Base interactions energy: -162.366
where: short stacking energy: -68.840
Base-Backbone interact. energy: -0.006
local terms energy: -62.179080
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -18.713
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: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -220.668701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.668701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.668701 (E_RNA)
where:
Base-Base interactions energy: -151.284
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.795
local terms energy: -68.589833
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -215.646125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.646125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.646125 (E_RNA)
where:
Base-Base interactions energy: -151.914
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.006
local terms energy: -63.726467
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.338
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: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -74.641959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.641959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.641959 (E_RNA)
where:
Base-Base interactions energy: -28.843
where: short stacking energy: -25.843
Base-Backbone interact. energy: 1.889
local terms energy: -47.687951
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -244.201520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.201520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.201520 (E_RNA)
where:
Base-Base interactions energy: -169.332
where: short stacking energy: -69.886
Base-Backbone interact. energy: -0.004
local terms energy: -74.864911
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -236.191217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.191217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.191217 (E_RNA)
where:
Base-Base interactions energy: -158.785
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.004
local terms energy: -77.402223
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -20.657
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: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -240.679206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.679206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.679206 (E_RNA)
where:
Base-Base interactions energy: -161.811
where: short stacking energy: -73.321
Base-Backbone interact. energy: -0.050
local terms energy: -78.818291
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -19.653
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: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -231.967758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.967758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.967758 (E_RNA)
where:
Base-Base interactions energy: -161.297
where: short stacking energy: -74.252
Base-Backbone interact. energy: -0.001
local terms energy: -70.670256
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -221.652165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.652165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.652165 (E_RNA)
where:
Base-Base interactions energy: -150.290
where: short stacking energy: -56.734
Base-Backbone interact. energy: -0.097
local terms energy: -71.265557
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -13.706
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: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -223.325137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.325137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.325137 (E_RNA)
where:
Base-Base interactions energy: -154.786
where: short stacking energy: -68.709
Base-Backbone interact. energy: -0.685
local terms energy: -67.854392
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -228.976444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.976444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.976444 (E_RNA)
where:
Base-Base interactions energy: -154.388
where: short stacking energy: -70.534
Base-Backbone interact. energy: -0.900
local terms energy: -73.687840
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -18.523
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: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -208.488105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.488105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.488105 (E_RNA)
where:
Base-Base interactions energy: -149.928
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.001
local terms energy: -58.559260
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -6.614
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: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -215.389823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.389823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.389823 (E_RNA)
where:
Base-Base interactions energy: -151.870
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.019
local terms energy: -63.501440
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -72.565615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.565615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.565615 (E_RNA)
where:
Base-Base interactions energy: -30.270
where: short stacking energy: -20.165
Base-Backbone interact. energy: 1.914
local terms energy: -44.209574
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: 1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -246.922204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.922204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.922204 (E_RNA)
where:
Base-Base interactions energy: -168.931
where: short stacking energy: -80.197
Base-Backbone interact. energy: -0.072
local terms energy: -77.918867
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -238.552786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.552786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.552786 (E_RNA)
where:
Base-Base interactions energy: -160.359
where: short stacking energy: -80.699
Base-Backbone interact. energy: -0.011
local terms energy: -78.182064
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -234.159911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.159911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.159911 (E_RNA)
where:
Base-Base interactions energy: -163.916
where: short stacking energy: -69.943
Base-Backbone interact. energy: -0.001
local terms energy: -70.242692
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -242.331993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.331993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.331993 (E_RNA)
where:
Base-Base interactions energy: -169.996
where: short stacking energy: -76.066
Base-Backbone interact. energy: -0.002
local terms energy: -72.334144
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -20.324
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: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -231.734002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.734002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.734002 (E_RNA)
where:
Base-Base interactions energy: -160.182
where: short stacking energy: -78.042
Base-Backbone interact. energy: -0.000
local terms energy: -71.551747
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -223.402348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.402348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.402348 (E_RNA)
where:
Base-Base interactions energy: -149.962
where: short stacking energy: -65.378
Base-Backbone interact. energy: -0.166
local terms energy: -73.274240
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -221.545980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.545980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.545980 (E_RNA)
where:
Base-Base interactions energy: -157.537
where: short stacking energy: -71.812
Base-Backbone interact. energy: -0.026
local terms energy: -63.983075
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -9.153
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: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -210.270756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.270756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.270756 (E_RNA)
where:
Base-Base interactions energy: -146.390
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.050
local terms energy: -63.830081
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -216.555391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.555391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.555391 (E_RNA)
where:
Base-Base interactions energy: -152.056
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.001
local terms energy: -64.497810
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -8.311
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -99.203632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.203632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.203632 (E_RNA)
where:
Base-Base interactions energy: -52.827
where: short stacking energy: -47.796
Base-Backbone interact. energy: -0.227
local terms energy: -46.149667
where:
bonds (distance) C4'-P energy: -4.061
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -9.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -249.971758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.971758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.971758 (E_RNA)
where:
Base-Base interactions energy: -172.156
where: short stacking energy: -76.658
Base-Backbone interact. energy: -1.329
local terms energy: -76.486345
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -20.681
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: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -247.122343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.122343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.122343 (E_RNA)
where:
Base-Base interactions energy: -171.069
where: short stacking energy: -74.706
Base-Backbone interact. energy: -1.607
local terms energy: -74.446487
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -18.892
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: 273
Temperature: 1.000000
Total energy: -237.905871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.905871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.905871 (E_RNA)
where:
Base-Base interactions energy: -164.536
where: short stacking energy: -68.739
Base-Backbone interact. energy: -0.649
local terms energy: -72.720795
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -18.372
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: 273
Temperature: 1.050000
Total energy: -233.001312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.001312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.001312 (E_RNA)
where:
Base-Base interactions energy: -161.816
where: short stacking energy: -76.137
Base-Backbone interact. energy: -0.003
local terms energy: -71.183130
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -227.620780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.620780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.620780 (E_RNA)
where:
Base-Base interactions energy: -154.255
where: short stacking energy: -73.639
Base-Backbone interact. energy: -0.585
local terms energy: -72.780558
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -20.100
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: 273
Temperature: 1.150000
Total energy: -223.190957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.190957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.190957 (E_RNA)
where:
Base-Base interactions energy: -157.337
where: short stacking energy: -70.509
Base-Backbone interact. energy: -0.080
local terms energy: -65.774795
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -8.913
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -19.504
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: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -221.451352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.451352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.451352 (E_RNA)
where:
Base-Base interactions energy: -160.578
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.391
local terms energy: -60.482955
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -7.762
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -216.385756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.385756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.385756 (E_RNA)
where:
Base-Base interactions energy: -152.507
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.001
local terms energy: -63.877512
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -204.494823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.494823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.494823 (E_RNA)
where:
Base-Base interactions energy: -144.317
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.110
local terms energy: -60.067896
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -81.062886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.062886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.062886 (E_RNA)
where:
Base-Base interactions energy: -31.178
where: short stacking energy: -28.526
Base-Backbone interact. energy: -0.160
local terms energy: -49.725140
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -245.648739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.648739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.648739 (E_RNA)
where:
Base-Base interactions energy: -173.866
where: short stacking energy: -71.138
Base-Backbone interact. energy: -0.013
local terms energy: -71.770175
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -17.402
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: 274
Temperature: 0.950000
Total energy: -238.484851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.484851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.484851 (E_RNA)
where:
Base-Base interactions energy: -162.994
where: short stacking energy: -65.486
Base-Backbone interact. energy: -0.771
local terms energy: -74.720260
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -240.332938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.332938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.332938 (E_RNA)
where:
Base-Base interactions energy: -166.003
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.084
local terms energy: -74.245120
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -232.409114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.409114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.409114 (E_RNA)
where:
Base-Base interactions energy: -163.105
where: short stacking energy: -68.911
Base-Backbone interact. energy: -0.005
local terms energy: -69.299186
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -236.024080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.024080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.024080 (E_RNA)
where:
Base-Base interactions energy: -168.023
where: short stacking energy: -80.807
Base-Backbone interact. energy: -0.591
local terms energy: -67.409658
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -19.563
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: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -225.968185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.968185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.968185 (E_RNA)
where:
Base-Base interactions energy: -150.410
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.647
local terms energy: -74.911294
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -222.332278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.332278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.332278 (E_RNA)
where:
Base-Base interactions energy: -158.943
where: short stacking energy: -70.326
Base-Backbone interact. energy: -0.008
local terms energy: -63.381256
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -8.587
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -19.436
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: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -209.105081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.105081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.105081 (E_RNA)
where:
Base-Base interactions energy: -146.306
where: short stacking energy: -55.502
Base-Backbone interact. energy: -0.128
local terms energy: -62.670766
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -14.832
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: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -206.672414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.672414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.672414 (E_RNA)
where:
Base-Base interactions energy: -139.978
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.513
local terms energy: -66.181261
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -14.403
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: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -78.510044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.510044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.510044 (E_RNA)
where:
Base-Base interactions energy: -40.034
where: short stacking energy: -35.465
Base-Backbone interact. energy: -0.889
local terms energy: -37.586759
where:
bonds (distance) C4'-P energy: -5.803
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -3.513
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: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -244.324915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.324915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.324915 (E_RNA)
where:
Base-Base interactions energy: -166.742
where: short stacking energy: -70.416
Base-Backbone interact. energy: -1.523
local terms energy: -76.059474
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -240.484780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.484780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.484780 (E_RNA)
where:
Base-Base interactions energy: -169.565
where: short stacking energy: -70.951
Base-Backbone interact. energy: -0.037
local terms energy: -70.882322
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -237.097410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.097410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.097410 (E_RNA)
where:
Base-Base interactions energy: -163.040
where: short stacking energy: -67.885
Base-Backbone interact. energy: -0.012
local terms energy: -74.045454
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -17.243
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: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -239.909819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.909819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.909819 (E_RNA)
where:
Base-Base interactions energy: -172.047
where: short stacking energy: -81.071
Base-Backbone interact. energy: -0.958
local terms energy: -66.905723
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -21.311
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: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -229.372974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.372974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.372974 (E_RNA)
where:
Base-Base interactions energy: -158.128
where: short stacking energy: -75.819
Base-Backbone interact. energy: -0.019
local terms energy: -71.226300
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -18.713
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: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -227.975982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.975982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.975982 (E_RNA)
where:
Base-Base interactions energy: -160.603
where: short stacking energy: -71.709
Base-Backbone interact. energy: -0.363
local terms energy: -67.010707
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -18.182
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: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -212.274292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.274292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.274292 (E_RNA)
where:
Base-Base interactions energy: -145.121
where: short stacking energy: -62.031
Base-Backbone interact. energy: 1.458
local terms energy: -68.611517
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -211.949943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.949943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.949943 (E_RNA)
where:
Base-Base interactions energy: -147.020
where: short stacking energy: -59.466
Base-Backbone interact. energy: -0.219
local terms energy: -64.711058
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -18.302
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: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -192.415408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.415408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.415408 (E_RNA)
where:
Base-Base interactions energy: -140.407
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.064
local terms energy: -51.945079
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -7.900
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -77.295295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.295295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.295295 (E_RNA)
where:
Base-Base interactions energy: -24.289
where: short stacking energy: -20.668
Base-Backbone interact. energy: -0.330
local terms energy: -52.676623
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -243.004322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.004322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.004322 (E_RNA)
where:
Base-Base interactions energy: -168.559
where: short stacking energy: -71.339
Base-Backbone interact. energy: 0.081
local terms energy: -74.526067
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -243.736263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.736263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.736263 (E_RNA)
where:
Base-Base interactions energy: -175.980
where: short stacking energy: -69.756
Base-Backbone interact. energy: -0.330
local terms energy: -67.426490
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -12.058
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: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -238.530724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.530724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.530724 (E_RNA)
where:
Base-Base interactions energy: -160.674
where: short stacking energy: -76.287
Base-Backbone interact. energy: -0.041
local terms energy: -77.815525
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -229.905838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.905838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.905838 (E_RNA)
where:
Base-Base interactions energy: -160.324
where: short stacking energy: -70.521
Base-Backbone interact. energy: -1.182
local terms energy: -68.400072
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -9.360
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: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -237.618587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.618587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.618587 (E_RNA)
where:
Base-Base interactions energy: -163.118
where: short stacking energy: -65.666
Base-Backbone interact. energy: -0.470
local terms energy: -74.030807
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -18.153
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: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -230.889903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.889903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.889903 (E_RNA)
where:
Base-Base interactions energy: -165.505
where: short stacking energy: -77.049
Base-Backbone interact. energy: -0.240
local terms energy: -65.145192
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -218.674590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.674590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.674590 (E_RNA)
where:
Base-Base interactions energy: -151.461
where: short stacking energy: -69.376
Base-Backbone interact. energy: -0.682
local terms energy: -66.531465
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -8.002
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -207.606748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.606748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.606748 (E_RNA)
where:
Base-Base interactions energy: -156.854
where: short stacking energy: -61.313
Base-Backbone interact. energy: -0.077
local terms energy: -50.675654
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -6.589
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: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -189.666123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.666123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.666123 (E_RNA)
where:
Base-Base interactions energy: -131.060
where: short stacking energy: -58.048
Base-Backbone interact. energy: 1.127
local terms energy: -59.733546
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -15.164
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: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -87.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.493611 (E_RNA)
where:
Base-Base interactions energy: -47.270
where: short stacking energy: -17.645
Base-Backbone interact. energy: 0.414
local terms energy: -40.637544
where:
bonds (distance) C4'-P energy: -5.307
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: 2.169
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: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -241.667321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.667321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.667321 (E_RNA)
where:
Base-Base interactions energy: -163.210
where: short stacking energy: -80.358
Base-Backbone interact. energy: -0.003
local terms energy: -78.454625
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -20.059
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: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -243.900097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.900097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.900097 (E_RNA)
where:
Base-Base interactions energy: -163.383
where: short stacking energy: -77.617
Base-Backbone interact. energy: -0.034
local terms energy: -80.483218
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -238.721540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.721540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.721540 (E_RNA)
where:
Base-Base interactions energy: -166.301
where: short stacking energy: -74.084
Base-Backbone interact. energy: -0.201
local terms energy: -72.219268
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -22.781
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: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -232.898942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.898942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.898942 (E_RNA)
where:
Base-Base interactions energy: -163.132
where: short stacking energy: -75.696
Base-Backbone interact. energy: -0.290
local terms energy: -69.477147
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -229.414497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.414497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.414497 (E_RNA)
where:
Base-Base interactions energy: -155.902
where: short stacking energy: -62.660
Base-Backbone interact. energy: -0.033
local terms energy: -73.479383
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -228.420416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.420416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.420416 (E_RNA)
where:
Base-Base interactions energy: -155.219
where: short stacking energy: -66.469
Base-Backbone interact. energy: -0.040
local terms energy: -73.161933
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -211.568139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.568139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.568139 (E_RNA)
where:
Base-Base interactions energy: -147.043
where: short stacking energy: -56.313
Base-Backbone interact. energy: -0.360
local terms energy: -64.164994
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -200.734336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.734336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.734336 (E_RNA)
where:
Base-Base interactions energy: -140.326
where: short stacking energy: -54.558
Base-Backbone interact. energy: -0.533
local terms energy: -59.875312
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -9.341
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: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -211.043298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.043298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.043298 (E_RNA)
where:
Base-Base interactions energy: -149.974
where: short stacking energy: -64.956
Base-Backbone interact. energy: -0.072
local terms energy: -60.996882
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -9.284
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: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -91.857215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.857215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.857215 (E_RNA)
where:
Base-Base interactions energy: -52.548
where: short stacking energy: -33.022
Base-Backbone interact. energy: 1.849
local terms energy: -41.157808
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: 2.329
tors. eta vs tors. theta energy: -3.047
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: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -248.955832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.955832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.955832 (E_RNA)
where:
Base-Base interactions energy: -170.701
where: short stacking energy: -80.890
Base-Backbone interact. energy: -0.015
local terms energy: -78.239727
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -20.140
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: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -243.039781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.039781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.039781 (E_RNA)
where:
Base-Base interactions energy: -164.236
where: short stacking energy: -78.827
Base-Backbone interact. energy: -0.052
local terms energy: -78.751813
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -235.141090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.141090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.141090 (E_RNA)
where:
Base-Base interactions energy: -162.962
where: short stacking energy: -75.444
Base-Backbone interact. energy: -0.586
local terms energy: -71.593459
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -241.041898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.041898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.041898 (E_RNA)
where:
Base-Base interactions energy: -166.695
where: short stacking energy: -78.286
Base-Backbone interact. energy: -0.001
local terms energy: -74.346602
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -229.269607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.269607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.269607 (E_RNA)
where:
Base-Base interactions energy: -163.816
where: short stacking energy: -75.208
Base-Backbone interact. energy: -0.636
local terms energy: -64.817897
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -225.657646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.657646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.657646 (E_RNA)
where:
Base-Base interactions energy: -158.808
where: short stacking energy: -74.692
Base-Backbone interact. energy: -0.013
local terms energy: -66.836119
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -21.899
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: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -208.347176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.347176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.347176 (E_RNA)
where:
Base-Base interactions energy: -139.301
where: short stacking energy: -64.516
Base-Backbone interact. energy: -0.197
local terms energy: -68.849699
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -16.317
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: 278
Temperature: 1.250000
Total energy: -223.904857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.904857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.904857 (E_RNA)
where:
Base-Base interactions energy: -157.375
where: short stacking energy: -67.867
Base-Backbone interact. energy: -0.046
local terms energy: -66.483340
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -10.830
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: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -207.760701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.760701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.760701 (E_RNA)
where:
Base-Base interactions energy: -144.876
where: short stacking energy: -63.540
Base-Backbone interact. energy: -0.011
local terms energy: -62.873900
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -17.229
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: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -76.757407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.757407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.757407 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.159
local terms energy: -41.269917
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -2.161
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: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -245.844503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.844503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.844503 (E_RNA)
where:
Base-Base interactions energy: -170.161
where: short stacking energy: -73.853
Base-Backbone interact. energy: -0.342
local terms energy: -75.341644
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -247.015261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.015261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.015261 (E_RNA)
where:
Base-Base interactions energy: -170.700
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.000
local terms energy: -76.314841
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -234.488873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.488873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.488873 (E_RNA)
where:
Base-Base interactions energy: -166.174
where: short stacking energy: -74.337
Base-Backbone interact. energy: -0.001
local terms energy: -68.313373
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -237.099855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.099855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.099855 (E_RNA)
where:
Base-Base interactions energy: -161.980
where: short stacking energy: -75.570
Base-Backbone interact. energy: -0.137
local terms energy: -74.982929
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -231.172883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.172883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.172883 (E_RNA)
where:
Base-Base interactions energy: -157.640
where: short stacking energy: -72.879
Base-Backbone interact. energy: -0.004
local terms energy: -73.528583
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -17.965
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: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -230.210143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.210143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.210143 (E_RNA)
where:
Base-Base interactions energy: -151.089
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.378
local terms energy: -78.743133
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -21.220
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: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -203.823510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.823510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.823510 (E_RNA)
where:
Base-Base interactions energy: -138.782
where: short stacking energy: -65.955
Base-Backbone interact. energy: 0.444
local terms energy: -65.485452
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -12.126
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: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -216.203554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.203554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.203554 (E_RNA)
where:
Base-Base interactions energy: -153.582
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.621
local terms energy: -62.000342
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -6.845
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: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -213.377779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.377779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.377779 (E_RNA)
where:
Base-Base interactions energy: -149.665
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.778
local terms energy: -62.934273
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -76.440011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.440011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.440011 (E_RNA)
where:
Base-Base interactions energy: -26.352
where: short stacking energy: -17.042
Base-Backbone interact. energy: -0.091
local terms energy: -49.996926
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: 0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -242.740158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.740158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.740158 (E_RNA)
where:
Base-Base interactions energy: -168.513
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.062
local terms energy: -74.164436
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -241.823109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.823109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.823109 (E_RNA)
where:
Base-Base interactions energy: -168.684
where: short stacking energy: -76.042
Base-Backbone interact. energy: -0.124
local terms energy: -73.015024
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -233.949446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.949446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.949446 (E_RNA)
where:
Base-Base interactions energy: -166.566
where: short stacking energy: -79.336
Base-Backbone interact. energy: -0.005
local terms energy: -67.378426
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -234.246173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.246173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.246173 (E_RNA)
where:
Base-Base interactions energy: -164.624
where: short stacking energy: -73.822
Base-Backbone interact. energy: -0.177
local terms energy: -69.446018
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -18.680
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: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -226.559355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.559355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.559355 (E_RNA)
where:
Base-Base interactions energy: -161.357
where: short stacking energy: -67.989
Base-Backbone interact. energy: -0.041
local terms energy: -65.161908
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -231.093678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.093678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.093678 (E_RNA)
where:
Base-Base interactions energy: -159.716
where: short stacking energy: -70.788
Base-Backbone interact. energy: -0.000
local terms energy: -71.377871
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: -21.405
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: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -218.382265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.382265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.382265 (E_RNA)
where:
Base-Base interactions energy: -151.161
where: short stacking energy: -66.827
Base-Backbone interact. energy: -1.162
local terms energy: -66.059700
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -217.560864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.560864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.560864 (E_RNA)
where:
Base-Base interactions energy: -145.374
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.567
local terms energy: -71.619821
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -213.096074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.096074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.096074 (E_RNA)
where:
Base-Base interactions energy: -146.509
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.005
local terms energy: -66.582882
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -17.234
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: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -70.738683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.738683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.738683 (E_RNA)
where:
Base-Base interactions energy: -27.178
where: short stacking energy: -26.660
Base-Backbone interact. energy: -0.192
local terms energy: -43.368960
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -245.873192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.873192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.873192 (E_RNA)
where:
Base-Base interactions energy: -166.958
where: short stacking energy: -68.990
Base-Backbone interact. energy: -0.052
local terms energy: -78.863623
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -19.678
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: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -248.012080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.012080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.012080 (E_RNA)
where:
Base-Base interactions energy: -171.184
where: short stacking energy: -77.225
Base-Backbone interact. energy: -0.001
local terms energy: -76.827578
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -20.154
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: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -237.579645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.579645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.579645 (E_RNA)
where:
Base-Base interactions energy: -161.276
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.001
local terms energy: -76.302555
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -20.115
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: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -229.811557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.811557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.811557 (E_RNA)
where:
Base-Base interactions energy: -152.525
where: short stacking energy: -67.533
Base-Backbone interact. energy: -0.017
local terms energy: -77.269318
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -17.718
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: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -231.581816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.581816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.581816 (E_RNA)
where:
Base-Base interactions energy: -156.056
where: short stacking energy: -71.092
Base-Backbone interact. energy: -0.014
local terms energy: -75.511506
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -226.761437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.761437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.761437 (E_RNA)
where:
Base-Base interactions energy: -159.165
where: short stacking energy: -60.157
Base-Backbone interact. energy: -0.348
local terms energy: -67.248518
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -220.686007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.686007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.686007 (E_RNA)
where:
Base-Base interactions energy: -156.502
where: short stacking energy: -71.591
Base-Backbone interact. energy: -0.000
local terms energy: -64.184277
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -17.638
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: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -223.967704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.967704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.967704 (E_RNA)
where:
Base-Base interactions energy: -153.768
where: short stacking energy: -70.437
Base-Backbone interact. energy: -0.071
local terms energy: -70.128419
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -208.070222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.070222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.070222 (E_RNA)
where:
Base-Base interactions energy: -145.969
where: short stacking energy: -58.165
Base-Backbone interact. energy: -0.144
local terms energy: -61.956505
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -80.540091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.540091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.540091 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -17.922
Base-Backbone interact. energy: -0.085
local terms energy: -48.780785
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -250.063996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.063996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.063996 (E_RNA)
where:
Base-Base interactions energy: -173.406
where: short stacking energy: -81.014
Base-Backbone interact. energy: -0.147
local terms energy: -76.511131
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -243.469991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.469991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.469991 (E_RNA)
where:
Base-Base interactions energy: -173.271
where: short stacking energy: -76.377
Base-Backbone interact. energy: -0.003
local terms energy: -70.196020
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -17.350
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: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -238.166309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.166309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.166309 (E_RNA)
where:
Base-Base interactions energy: -167.480
where: short stacking energy: -69.608
Base-Backbone interact. energy: -0.222
local terms energy: -70.464494
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -10.652
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: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -234.885284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.885284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.885284 (E_RNA)
where:
Base-Base interactions energy: -164.451
where: short stacking energy: -71.371
Base-Backbone interact. energy: -0.000
local terms energy: -70.434555
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -228.010379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.010379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.010379 (E_RNA)
where:
Base-Base interactions energy: -157.398
where: short stacking energy: -68.132
Base-Backbone interact. energy: -1.367
local terms energy: -69.245986
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -17.747
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: 6, replica: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -231.260846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.260846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.260846 (E_RNA)
where:
Base-Base interactions energy: -165.162
where: short stacking energy: -78.710
Base-Backbone interact. energy: -0.035
local terms energy: -66.063950
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -19.067
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: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -219.149787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.149787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.149787 (E_RNA)
where:
Base-Base interactions energy: -154.416
where: short stacking energy: -66.347
Base-Backbone interact. energy: -0.003
local terms energy: -64.731322
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -210.376994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.376994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.376994 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -68.464
Base-Backbone interact. energy: -0.278
local terms energy: -61.831323
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -12.055
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: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -210.239029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.239029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.239029 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -66.619
Base-Backbone interact. energy: 0.306
local terms energy: -56.928099
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -8.544
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -4.285
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -72.764809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.764809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.764809 (E_RNA)
where:
Base-Base interactions energy: -25.538
where: short stacking energy: -25.538
Base-Backbone interact. energy: -0.988
local terms energy: -46.239336
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -7.517
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -245.026678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.026678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.026678 (E_RNA)
where:
Base-Base interactions energy: -174.162
where: short stacking energy: -74.068
Base-Backbone interact. energy: -0.666
local terms energy: -70.198172
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -244.663701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.663701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.663701 (E_RNA)
where:
Base-Base interactions energy: -169.547
where: short stacking energy: -69.232
Base-Backbone interact. energy: -0.043
local terms energy: -75.073548
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -20.740
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: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -238.782795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.782795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.782795 (E_RNA)
where:
Base-Base interactions energy: -165.840
where: short stacking energy: -67.395
Base-Backbone interact. energy: -0.032
local terms energy: -72.910719
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -231.439241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.439241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.439241 (E_RNA)
where:
Base-Base interactions energy: -161.502
where: short stacking energy: -72.424
Base-Backbone interact. energy: -0.348
local terms energy: -69.588756
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -233.617298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.617298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.617298 (E_RNA)
where:
Base-Base interactions energy: -158.863
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.059
local terms energy: -74.695061
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -20.977
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: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -222.949824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.949824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.949824 (E_RNA)
where:
Base-Base interactions energy: -147.561
where: short stacking energy: -63.541
Base-Backbone interact. energy: 0.229
local terms energy: -75.617897
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -221.508089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.508089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.508089 (E_RNA)
where:
Base-Base interactions energy: -150.642
where: short stacking energy: -66.854
Base-Backbone interact. energy: -0.091
local terms energy: -70.775127
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -215.175842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.175842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.175842 (E_RNA)
where:
Base-Base interactions energy: -154.033
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.325
local terms energy: -60.817464
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -8.398
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: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -211.616805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.616805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.616805 (E_RNA)
where:
Base-Base interactions energy: -154.459
where: short stacking energy: -73.888
Base-Backbone interact. energy: 1.907
local terms energy: -59.064974
where:
bonds (distance) C4'-P energy: -6.341
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -11.045
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: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -74.591590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.591590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.591590 (E_RNA)
where:
Base-Base interactions energy: -38.096
where: short stacking energy: -37.023
Base-Backbone interact. energy: -0.162
local terms energy: -36.333939
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -8.726
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -243.264379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.264379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.264379 (E_RNA)
where:
Base-Base interactions energy: -168.283
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.115
local terms energy: -74.865839
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -249.710259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.710259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.710259 (E_RNA)
where:
Base-Base interactions energy: -168.640
where: short stacking energy: -76.596
Base-Backbone interact. energy: -0.782
local terms energy: -80.288345
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -244.183987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.183987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.183987 (E_RNA)
where:
Base-Base interactions energy: -170.590
where: short stacking energy: -73.865
Base-Backbone interact. energy: -0.011
local terms energy: -73.582572
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -223.321553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.321553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.321553 (E_RNA)
where:
Base-Base interactions energy: -152.160
where: short stacking energy: -61.980
Base-Backbone interact. energy: -0.560
local terms energy: -70.601703
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -10.105
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: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -223.877906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.877906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.877906 (E_RNA)
where:
Base-Base interactions energy: -151.091
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.000
local terms energy: -72.786981
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -222.546925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.546925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.546925 (E_RNA)
where:
Base-Base interactions energy: -153.507
where: short stacking energy: -71.020
Base-Backbone interact. energy: -0.010
local terms energy: -69.029644
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -222.335404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.335404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.335404 (E_RNA)
where:
Base-Base interactions energy: -150.352
where: short stacking energy: -63.530
Base-Backbone interact. energy: -0.649
local terms energy: -71.334590
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -17.574
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: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -222.996513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.996513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.996513 (E_RNA)
where:
Base-Base interactions energy: -155.679
where: short stacking energy: -72.153
Base-Backbone interact. energy: -0.036
local terms energy: -67.281632
where:
bonds (distance) C4'-P energy: -7.923
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -21.092
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: 284
Temperature: 1.300000
Total energy: -218.588572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.588572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.588572 (E_RNA)
where:
Base-Base interactions energy: -153.376
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.010
local terms energy: -65.202817
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -19.015
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: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -84.662548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.662548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.662548 (E_RNA)
where:
Base-Base interactions energy: -38.422
where: short stacking energy: -38.722
Base-Backbone interact. energy: 2.204
local terms energy: -48.443996
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -239.430294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.430294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.430294 (E_RNA)
where:
Base-Base interactions energy: -165.690
where: short stacking energy: -68.692
Base-Backbone interact. energy: -0.123
local terms energy: -73.617078
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -18.174
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: 285
Temperature: 0.950000
Total energy: -244.271351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.271351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.271351 (E_RNA)
where:
Base-Base interactions energy: -169.351
where: short stacking energy: -69.391
Base-Backbone interact. energy: -0.197
local terms energy: -74.723186
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -17.713
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: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -224.199958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.199958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.199958 (E_RNA)
where:
Base-Base interactions energy: -149.999
where: short stacking energy: -58.744
Base-Backbone interact. energy: -0.085
local terms energy: -74.115763
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -238.418097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.418097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.418097 (E_RNA)
where:
Base-Base interactions energy: -167.956
where: short stacking energy: -71.496
Base-Backbone interact. energy: -0.434
local terms energy: -70.027832
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -234.654855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.654855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.654855 (E_RNA)
where:
Base-Base interactions energy: -165.190
where: short stacking energy: -69.497
Base-Backbone interact. energy: -0.303
local terms energy: -69.161675
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -222.855722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.855722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.855722 (E_RNA)
where:
Base-Base interactions energy: -155.152
where: short stacking energy: -66.806
Base-Backbone interact. energy: -0.287
local terms energy: -67.416770
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -15.729
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: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -224.196615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.196615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.196615 (E_RNA)
where:
Base-Base interactions energy: -152.210
where: short stacking energy: -64.281
Base-Backbone interact. energy: -0.023
local terms energy: -71.963451
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -20.177
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: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -229.813703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.813703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.813703 (E_RNA)
where:
Base-Base interactions energy: -165.252
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.105
local terms energy: -64.455922
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -215.929715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.929715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.929715 (E_RNA)
where:
Base-Base interactions energy: -159.430
where: short stacking energy: -63.995
Base-Backbone interact. energy: -0.283
local terms energy: -56.217371
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -6.869
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: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -71.393486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.393486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.393486 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -19.801
Base-Backbone interact. energy: -0.462
local terms energy: -44.458924
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -0.127
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: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -240.411954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.411954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.411954 (E_RNA)
where:
Base-Base interactions energy: -157.793
where: short stacking energy: -72.991
Base-Backbone interact. energy: -0.021
local terms energy: -82.598165
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -20.700
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: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -240.319091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.319091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.319091 (E_RNA)
where:
Base-Base interactions energy: -164.508
where: short stacking energy: -72.314
Base-Backbone interact. energy: -0.148
local terms energy: -75.663320
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -231.155850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.155850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.155850 (E_RNA)
where:
Base-Base interactions energy: -158.832
where: short stacking energy: -68.268
Base-Backbone interact. energy: -0.107
local terms energy: -72.216858
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -17.618
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: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -228.023037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.023037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.023037 (E_RNA)
where:
Base-Base interactions energy: -157.845
where: short stacking energy: -75.322
Base-Backbone interact. energy: -0.041
local terms energy: -70.136623
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -229.769302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.769302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.769302 (E_RNA)
where:
Base-Base interactions energy: -158.869
where: short stacking energy: -75.008
Base-Backbone interact. energy: -0.998
local terms energy: -69.902367
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -18.938
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: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -220.339008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.339008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.339008 (E_RNA)
where:
Base-Base interactions energy: -156.891
where: short stacking energy: -75.455
Base-Backbone interact. energy: 0.014
local terms energy: -63.462044
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -221.686705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.686705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.686705 (E_RNA)
where:
Base-Base interactions energy: -152.293
where: short stacking energy: -71.706
Base-Backbone interact. energy: -0.011
local terms energy: -69.382098
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -20.519
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: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -213.732617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.732617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.732617 (E_RNA)
where:
Base-Base interactions energy: -155.162
where: short stacking energy: -72.277
Base-Backbone interact. energy: -0.037
local terms energy: -58.533200
where:
bonds (distance) C4'-P energy: -6.843
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -214.590344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.590344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.590344 (E_RNA)
where:
Base-Base interactions energy: -146.233
where: short stacking energy: -67.117
Base-Backbone interact. energy: -0.140
local terms energy: -68.216941
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.295
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: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -71.166524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.166524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.166524 (E_RNA)
where:
Base-Base interactions energy: -26.941
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.031
local terms energy: -44.194455
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -247.918624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.918624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.918624 (E_RNA)
where:
Base-Base interactions energy: -174.375
where: short stacking energy: -70.348
Base-Backbone interact. energy: -0.068
local terms energy: -73.475673
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -16.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -237.795214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.795214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.795214 (E_RNA)
where:
Base-Base interactions energy: -161.136
where: short stacking energy: -74.023
Base-Backbone interact. energy: -0.274
local terms energy: -76.384387
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -20.985
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: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -235.388200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.388200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.388200 (E_RNA)
where:
Base-Base interactions energy: -163.494
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.003
local terms energy: -71.890826
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -245.013092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.013092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.013092 (E_RNA)
where:
Base-Base interactions energy: -173.441
where: short stacking energy: -84.096
Base-Backbone interact. energy: -0.343
local terms energy: -71.229504
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -23.283
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -217.423149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.423149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.423149 (E_RNA)
where:
Base-Base interactions energy: -150.866
where: short stacking energy: -59.978
Base-Backbone interact. energy: -0.124
local terms energy: -66.432268
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -225.255913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.255913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.255913 (E_RNA)
where:
Base-Base interactions energy: -156.291
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.478
local terms energy: -68.486647
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -16.878
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: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -221.169778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.169778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.169778 (E_RNA)
where:
Base-Base interactions energy: -156.323
where: short stacking energy: -66.218
Base-Backbone interact. energy: 0.130
local terms energy: -64.976514
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -9.958
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: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -217.878352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.878352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.878352 (E_RNA)
where:
Base-Base interactions energy: -154.162
where: short stacking energy: -53.629
Base-Backbone interact. energy: -0.075
local terms energy: -63.641208
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -18.141
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: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -208.398039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.398039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.398039 (E_RNA)
where:
Base-Base interactions energy: -146.049
where: short stacking energy: -59.258
Base-Backbone interact. energy: -0.110
local terms energy: -62.238924
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -9.530
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: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -73.658136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.658136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.658136 (E_RNA)
where:
Base-Base interactions energy: -22.879
where: short stacking energy: -22.879
Base-Backbone interact. energy: -0.001
local terms energy: -50.777784
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -245.986519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.986519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.986519 (E_RNA)
where:
Base-Base interactions energy: -173.498
where: short stacking energy: -78.761
Base-Backbone interact. energy: -0.021
local terms energy: -72.467216
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -20.246
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: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -236.864947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.864947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.864947 (E_RNA)
where:
Base-Base interactions energy: -166.487
where: short stacking energy: -65.881
Base-Backbone interact. energy: -0.120
local terms energy: -70.257991
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -8.993
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: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -241.569956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.569956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.569956 (E_RNA)
where:
Base-Base interactions energy: -170.305
where: short stacking energy: -79.728
Base-Backbone interact. energy: -0.481
local terms energy: -70.783225
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -233.409763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.409763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.409763 (E_RNA)
where:
Base-Base interactions energy: -156.859
where: short stacking energy: -61.944
Base-Backbone interact. energy: -0.967
local terms energy: -75.583151
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -13.855
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: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -223.877860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.877860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.877860 (E_RNA)
where:
Base-Base interactions energy: -157.067
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.645
local terms energy: -66.166629
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -221.681983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.681983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.681983 (E_RNA)
where:
Base-Base interactions energy: -154.106
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.222
local terms energy: -67.353849
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -10.455
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: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -226.095227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.095227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.095227 (E_RNA)
where:
Base-Base interactions energy: -161.483
where: short stacking energy: -69.523
Base-Backbone interact. energy: -0.142
local terms energy: -64.470421
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -18.791
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: 8, replica: 2
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -225.864236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.864236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.864236 (E_RNA)
where:
Base-Base interactions energy: -151.231
where: short stacking energy: -66.127
Base-Backbone interact. energy: -0.002
local terms energy: -74.631636
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -21.162
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: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -201.458969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.458969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.458969 (E_RNA)
where:
Base-Base interactions energy: -154.686
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.069
local terms energy: -46.703473
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -6.219
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -10.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -67.076956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.076956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.076956 (E_RNA)
where:
Base-Base interactions energy: -26.953
where: short stacking energy: -26.953
Base-Backbone interact. energy: -0.126
local terms energy: -39.997933
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -0.935
tors. eta vs tors. theta energy: 0.025
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: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -245.875284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.875284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.875284 (E_RNA)
where:
Base-Base interactions energy: -169.505
where: short stacking energy: -74.902
Base-Backbone interact. energy: -1.802
local terms energy: -74.568120
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -244.022133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.022133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.022133 (E_RNA)
where:
Base-Base interactions energy: -174.515
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.003
local terms energy: -69.504235
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -238.662500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.662500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.662500 (E_RNA)
where:
Base-Base interactions energy: -163.168
where: short stacking energy: -71.175
Base-Backbone interact. energy: -0.036
local terms energy: -75.458638
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -234.410766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.410766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.410766 (E_RNA)
where:
Base-Base interactions energy: -162.420
where: short stacking energy: -68.545
Base-Backbone interact. energy: -0.957
local terms energy: -71.033685
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -17.923
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: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -229.266185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.266185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.266185 (E_RNA)
where:
Base-Base interactions energy: -157.007
where: short stacking energy: -73.017
Base-Backbone interact. energy: -0.063
local terms energy: -72.196180
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -218.329043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.329043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.329043 (E_RNA)
where:
Base-Base interactions energy: -152.172
where: short stacking energy: -69.963
Base-Backbone interact. energy: -0.017
local terms energy: -66.140690
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -18.655
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: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -210.387257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.387257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.387257 (E_RNA)
where:
Base-Base interactions energy: -142.423
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.053
local terms energy: -67.911340
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -16.918
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: 289
Temperature: 1.250000
Total energy: -219.759945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.759945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.759945 (E_RNA)
where:
Base-Base interactions energy: -151.462
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.028
local terms energy: -68.269983
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -8.967
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: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -213.025669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.025669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.025669 (E_RNA)
where:
Base-Base interactions energy: -145.380
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.013
local terms energy: -67.632241
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -74.491595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.491595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.491595 (E_RNA)
where:
Base-Base interactions energy: -30.108
where: short stacking energy: -30.108
Base-Backbone interact. energy: -0.005
local terms energy: -44.378357
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -249.600546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.600546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.600546 (E_RNA)
where:
Base-Base interactions energy: -165.042
where: short stacking energy: -77.251
Base-Backbone interact. energy: -1.499
local terms energy: -83.059275
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -245.482046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.482046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.482046 (E_RNA)
where:
Base-Base interactions energy: -170.693
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.002
local terms energy: -74.786923
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -238.806223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.806223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.806223 (E_RNA)
where:
Base-Base interactions energy: -166.094
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.351
local terms energy: -72.362077
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -13.430
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: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -238.343451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.343451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.343451 (E_RNA)
where:
Base-Base interactions energy: -170.823
where: short stacking energy: -64.601
Base-Backbone interact. energy: -0.008
local terms energy: -67.512027
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -14.569
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: 290
Temperature: 1.100000
Total energy: -227.998636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.998636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.998636 (E_RNA)
where:
Base-Base interactions energy: -158.606
where: short stacking energy: -64.045
Base-Backbone interact. energy: -0.042
local terms energy: -69.351335
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -19.688
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: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -232.675221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.675221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.675221 (E_RNA)
where:
Base-Base interactions energy: -158.206
where: short stacking energy: -74.381
Base-Backbone interact. energy: -0.217
local terms energy: -74.252492
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -225.165769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.165769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.165769 (E_RNA)
where:
Base-Base interactions energy: -159.235
where: short stacking energy: -62.366
Base-Backbone interact. energy: -0.672
local terms energy: -65.259539
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -6.584
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: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -205.548535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.548535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.548535 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -56.555
Base-Backbone interact. energy: -0.390
local terms energy: -68.383522
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -202.459480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.459480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.459480 (E_RNA)
where:
Base-Base interactions energy: -141.375
where: short stacking energy: -59.431
Base-Backbone interact. energy: -0.128
local terms energy: -60.957034
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -13.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -72.622716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.622716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.622716 (E_RNA)
where:
Base-Base interactions energy: -28.614
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.180
local terms energy: -43.828573
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -2.842
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: 1, replica: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -249.879506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.879506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.879506 (E_RNA)
where:
Base-Base interactions energy: -168.939
where: short stacking energy: -79.241
Base-Backbone interact. energy: -0.448
local terms energy: -80.493144
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -20.250
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: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -239.845114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.845114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.845114 (E_RNA)
where:
Base-Base interactions energy: -172.358
where: short stacking energy: -74.944
Base-Backbone interact. energy: -0.110
local terms energy: -67.377709
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -242.562927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.562927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.562927 (E_RNA)
where:
Base-Base interactions energy: -167.349
where: short stacking energy: -78.504
Base-Backbone interact. energy: -0.003
local terms energy: -75.211037
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -18.894
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: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -239.253890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.253890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.253890 (E_RNA)
where:
Base-Base interactions energy: -169.279
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.096
local terms energy: -69.878968
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -230.966585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.966585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.966585 (E_RNA)
where:
Base-Base interactions energy: -160.548
where: short stacking energy: -70.888
Base-Backbone interact. energy: 0.890
local terms energy: -71.309149
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -220.640895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.640895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.640895 (E_RNA)
where:
Base-Base interactions energy: -155.042
where: short stacking energy: -70.507
Base-Backbone interact. energy: -0.010
local terms energy: -65.588183
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -10.911
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: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -217.450821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.450821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.450821 (E_RNA)
where:
Base-Base interactions energy: -149.788
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.733
local terms energy: -66.929559
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -219.146037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146037 (E_RNA)
where:
Base-Base interactions energy: -151.162
where: short stacking energy: -58.356
Base-Backbone interact. energy: -0.327
local terms energy: -67.657498
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -12.668
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: 9, replica: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -194.966645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.966645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.966645 (E_RNA)
where:
Base-Base interactions energy: -137.847
where: short stacking energy: -55.811
Base-Backbone interact. energy: -0.049
local terms energy: -57.070781
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -16.107
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: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -76.200843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.200843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.200843 (E_RNA)
where:
Base-Base interactions energy: -31.171
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.156
local terms energy: -44.873553
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -1.399
flat angles P-C4'-P energy: -8.525
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: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -248.272543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.272543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.272543 (E_RNA)
where:
Base-Base interactions energy: -172.748
where: short stacking energy: -68.344
Base-Backbone interact. energy: -0.354
local terms energy: -75.170377
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -11.713
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: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -239.467468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.467468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.467468 (E_RNA)
where:
Base-Base interactions energy: -160.908
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.392
local terms energy: -78.167738
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -238.663100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.663100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.663100 (E_RNA)
where:
Base-Base interactions energy: -167.763
where: short stacking energy: -67.930
Base-Backbone interact. energy: -0.062
local terms energy: -70.838721
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -18.759
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: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -233.534606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.534606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.534606 (E_RNA)
where:
Base-Base interactions energy: -164.421
where: short stacking energy: -65.027
Base-Backbone interact. energy: -0.096
local terms energy: -69.017574
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -227.368083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.368083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.368083 (E_RNA)
where:
Base-Base interactions energy: -162.201
where: short stacking energy: -65.812
Base-Backbone interact. energy: -0.002
local terms energy: -65.165533
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -227.490467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.490467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.490467 (E_RNA)
where:
Base-Base interactions energy: -162.764
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.000
local terms energy: -64.726492
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -17.866
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: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -213.241981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.241981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.241981 (E_RNA)
where:
Base-Base interactions energy: -146.874
where: short stacking energy: -65.296
Base-Backbone interact. energy: -0.108
local terms energy: -66.259192
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -18.748
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: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -225.728417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.728417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.728417 (E_RNA)
where:
Base-Base interactions energy: -156.390
where: short stacking energy: -62.665
Base-Backbone interact. energy: -0.185
local terms energy: -69.153744
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -193.243293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.243293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.243293 (E_RNA)
where:
Base-Base interactions energy: -134.114
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.012
local terms energy: -59.117398
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -12.160
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: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -79.066981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.066981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.066981 (E_RNA)
where:
Base-Base interactions energy: -29.582
where: short stacking energy: -21.636
Base-Backbone interact. energy: -0.104
local terms energy: -49.380634
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -1.211
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: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -245.120830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.120830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.120830 (E_RNA)
where:
Base-Base interactions energy: -173.714
where: short stacking energy: -73.076
Base-Backbone interact. energy: -0.265
local terms energy: -71.142140
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -9.327
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: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -248.919497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.919497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.919497 (E_RNA)
where:
Base-Base interactions energy: -166.478
where: short stacking energy: -75.704
Base-Backbone interact. energy: -2.023
local terms energy: -80.418285
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -19.769
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: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -233.937370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.937370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.937370 (E_RNA)
where:
Base-Base interactions energy: -152.473
where: short stacking energy: -67.192
Base-Backbone interact. energy: -1.784
local terms energy: -79.680121
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -20.555
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: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -236.223761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.223761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.223761 (E_RNA)
where:
Base-Base interactions energy: -163.661
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.171
local terms energy: -72.390987
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -226.009412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.009412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.009412 (E_RNA)
where:
Base-Base interactions energy: -154.356
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.206
local terms energy: -71.447725
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -226.572620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.572620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.572620 (E_RNA)
where:
Base-Base interactions energy: -155.612
where: short stacking energy: -62.355
Base-Backbone interact. energy: -0.440
local terms energy: -70.521242
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -17.994
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: 293
Temperature: 1.200000
Total energy: -224.150223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.150223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.150223 (E_RNA)
where:
Base-Base interactions energy: -156.128
where: short stacking energy: -72.097
Base-Backbone interact. energy: -0.445
local terms energy: -67.577370
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -217.100332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.100332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.100332 (E_RNA)
where:
Base-Base interactions energy: -153.006
where: short stacking energy: -63.007
Base-Backbone interact. energy: -0.102
local terms energy: -63.992002
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -187.389378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.389378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.389378 (E_RNA)
where:
Base-Base interactions energy: -126.030
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.595
local terms energy: -60.764091
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -14.461
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: 293
Temperature: 1.350000
Total energy: -74.726558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.726558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.726558 (E_RNA)
where:
Base-Base interactions energy: -23.513
where: short stacking energy: -23.513
Base-Backbone interact. energy: 0.239
local terms energy: -51.451756
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -9.226
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: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -243.990791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.990791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.990791 (E_RNA)
where:
Base-Base interactions energy: -165.053
where: short stacking energy: -79.602
Base-Backbone interact. energy: -0.342
local terms energy: -78.595327
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -245.222052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.222052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.222052 (E_RNA)
where:
Base-Base interactions energy: -170.577
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.106
local terms energy: -74.538952
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -236.122032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.122032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.122032 (E_RNA)
where:
Base-Base interactions energy: -168.476
where: short stacking energy: -72.713
Base-Backbone interact. energy: -0.001
local terms energy: -67.644685
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -18.145
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: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -237.795827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.795827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.795827 (E_RNA)
where:
Base-Base interactions energy: -167.942
where: short stacking energy: -73.344
Base-Backbone interact. energy: -1.076
local terms energy: -68.777594
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -10.080
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: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -228.116531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.116531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.116531 (E_RNA)
where:
Base-Base interactions energy: -155.748
where: short stacking energy: -66.745
Base-Backbone interact. energy: 0.980
local terms energy: -73.348525
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -231.734283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.734283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.734283 (E_RNA)
where:
Base-Base interactions energy: -158.738
where: short stacking energy: -74.045
Base-Backbone interact. energy: -1.489
local terms energy: -71.507632
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -220.494921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.494921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.494921 (E_RNA)
where:
Base-Base interactions energy: -151.130
where: short stacking energy: -68.581
Base-Backbone interact. energy: -0.219
local terms energy: -69.146315
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -225.747641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.747641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.747641 (E_RNA)
where:
Base-Base interactions energy: -157.622
where: short stacking energy: -69.153
Base-Backbone interact. energy: -0.575
local terms energy: -67.551044
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -17.718
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: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -168.135627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.135627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.135627 (E_RNA)
where:
Base-Base interactions energy: -117.245
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.023
local terms energy: -50.867134
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -8.732
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.645
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: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -77.692230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.692230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.692230 (E_RNA)
where:
Base-Base interactions energy: -30.720
where: short stacking energy: -30.287
Base-Backbone interact. energy: 0.294
local terms energy: -47.266337
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -0.641
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: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -246.546856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.546856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.546856 (E_RNA)
where:
Base-Base interactions energy: -174.797
where: short stacking energy: -74.620
Base-Backbone interact. energy: -0.068
local terms energy: -71.682297
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -20.637
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: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -243.099278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.099278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.099278 (E_RNA)
where:
Base-Base interactions energy: -171.324
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.302
local terms energy: -71.473473
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.484
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: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -236.506455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.506455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.506455 (E_RNA)
where:
Base-Base interactions energy: -166.909
where: short stacking energy: -72.576
Base-Backbone interact. energy: -0.006
local terms energy: -69.591477
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -21.318
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: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -230.863652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.863652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.863652 (E_RNA)
where:
Base-Base interactions energy: -156.843
where: short stacking energy: -73.655
Base-Backbone interact. energy: -0.008
local terms energy: -74.013179
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -231.597994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.597994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.597994 (E_RNA)
where:
Base-Base interactions energy: -156.003
where: short stacking energy: -74.665
Base-Backbone interact. energy: -0.000
local terms energy: -75.595069
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -233.114408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.114408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.114408 (E_RNA)
where:
Base-Base interactions energy: -158.307
where: short stacking energy: -72.580
Base-Backbone interact. energy: -0.817
local terms energy: -73.990391
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -21.255
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: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -222.934685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.934685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.934685 (E_RNA)
where:
Base-Base interactions energy: -151.977
where: short stacking energy: -68.614
Base-Backbone interact. energy: -0.000
local terms energy: -70.957788
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -20.966
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: 295
Temperature: 1.250000
Total energy: -217.537755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.537755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.537755 (E_RNA)
where:
Base-Base interactions energy: -150.467
where: short stacking energy: -63.615
Base-Backbone interact. energy: -0.440
local terms energy: -66.630747
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -11.528
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: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -76.841561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.841561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.841561 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -16.527
Base-Backbone interact. energy: -0.033
local terms energy: -46.854475
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: 0.144
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: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -78.868891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.868891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.868891 (E_RNA)
where:
Base-Base interactions energy: -27.985
where: short stacking energy: -26.857
Base-Backbone interact. energy: -0.176
local terms energy: -50.707611
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -244.258458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.258458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.258458 (E_RNA)
where:
Base-Base interactions energy: -167.168
where: short stacking energy: -74.797
Base-Backbone interact. energy: -0.017
local terms energy: -77.072848
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -240.059284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.059284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.059284 (E_RNA)
where:
Base-Base interactions energy: -167.655
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.000
local terms energy: -72.403746
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -12.135
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: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -237.579039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.579039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.579039 (E_RNA)
where:
Base-Base interactions energy: -162.015
where: short stacking energy: -77.512
Base-Backbone interact. energy: 0.278
local terms energy: -75.842546
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -233.299105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.299105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.299105 (E_RNA)
where:
Base-Base interactions energy: -163.604
where: short stacking energy: -74.329
Base-Backbone interact. energy: -0.214
local terms energy: -69.480453
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -21.455
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: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -230.075411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.075411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.075411 (E_RNA)
where:
Base-Base interactions energy: -161.411
where: short stacking energy: -75.455
Base-Backbone interact. energy: -0.966
local terms energy: -67.698380
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -225.031892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.031892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.031892 (E_RNA)
where:
Base-Base interactions energy: -154.880
where: short stacking energy: -71.931
Base-Backbone interact. energy: -0.266
local terms energy: -69.885916
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -212.391890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.391890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.391890 (E_RNA)
where:
Base-Base interactions energy: -148.578
where: short stacking energy: -63.233
Base-Backbone interact. energy: -0.455
local terms energy: -63.359346
where:
bonds (distance) C4'-P energy: -7.186
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -10.908
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: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -213.214830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.214830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.214830 (E_RNA)
where:
Base-Base interactions energy: -144.615
where: short stacking energy: -60.784
Base-Backbone interact. energy: -0.287
local terms energy: -68.312546
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -9.384
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: 9, replica: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -74.172058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.172058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.172058 (E_RNA)
where:
Base-Base interactions energy: -25.365
where: short stacking energy: -25.365
Base-Backbone interact. energy: -0.527
local terms energy: -48.280086
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: 0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -80.009409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.009409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.009409 (E_RNA)
where:
Base-Base interactions energy: -41.162
where: short stacking energy: -41.162
Base-Backbone interact. energy: 6.963
local terms energy: -45.810376
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -8.286
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -6.052
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: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -245.390792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.390792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.390792 (E_RNA)
where:
Base-Base interactions energy: -171.049
where: short stacking energy: -74.322
Base-Backbone interact. energy: -1.149
local terms energy: -73.192485
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -243.086705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.086705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.086705 (E_RNA)
where:
Base-Base interactions energy: -168.160
where: short stacking energy: -73.472
Base-Backbone interact. energy: -0.100
local terms energy: -74.826557
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -246.144914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.144914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.144914 (E_RNA)
where:
Base-Base interactions energy: -171.997
where: short stacking energy: -72.963
Base-Backbone interact. energy: -0.001
local terms energy: -74.146828
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -234.267487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.267487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.267487 (E_RNA)
where:
Base-Base interactions energy: -162.347
where: short stacking energy: -80.499
Base-Backbone interact. energy: -0.164
local terms energy: -71.755620
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -225.061563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.061563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.061563 (E_RNA)
where:
Base-Base interactions energy: -158.848
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.004
local terms energy: -66.210464
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -17.396
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: 297
Temperature: 1.150000
Total energy: -219.179630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.179630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.179630 (E_RNA)
where:
Base-Base interactions energy: -144.906
where: short stacking energy: -64.284
Base-Backbone interact. energy: -0.100
local terms energy: -74.174033
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -221.353105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.353105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.353105 (E_RNA)
where:
Base-Base interactions energy: -158.179
where: short stacking energy: -71.069
Base-Backbone interact. energy: -0.174
local terms energy: -63.000300
where:
bonds (distance) C4'-P energy: -8.490
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -19.058
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: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -210.169337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.169337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.169337 (E_RNA)
where:
Base-Base interactions energy: -150.889
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.029
local terms energy: -59.251097
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -9.068
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -110.800313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.800313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.800313 (E_RNA)
where:
Base-Base interactions energy: -64.711
where: short stacking energy: -37.222
Base-Backbone interact. energy: -0.008
local terms energy: -46.080884
where:
bonds (distance) C4'-P energy: -8.282
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -80.404533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.404533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.404533 (E_RNA)
where:
Base-Base interactions energy: -29.229
where: short stacking energy: -29.829
Base-Backbone interact. energy: -0.321
local terms energy: -50.853798
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -7.839
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: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -244.759120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.759120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.759120 (E_RNA)
where:
Base-Base interactions energy: -171.157
where: short stacking energy: -75.437
Base-Backbone interact. energy: -0.449
local terms energy: -73.153098
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -19.483
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: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -242.335620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.335620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.335620 (E_RNA)
where:
Base-Base interactions energy: -171.293
where: short stacking energy: -74.271
Base-Backbone interact. energy: -0.093
local terms energy: -70.950284
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -238.925449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.925449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.925449 (E_RNA)
where:
Base-Base interactions energy: -165.195
where: short stacking energy: -77.383
Base-Backbone interact. energy: -0.000
local terms energy: -73.730204
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -20.494
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: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -244.922631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.922631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.922631 (E_RNA)
where:
Base-Base interactions energy: -170.285
where: short stacking energy: -72.093
Base-Backbone interact. energy: -2.496
local terms energy: -72.141730
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -11.501
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: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -225.783057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.783057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.783057 (E_RNA)
where:
Base-Base interactions energy: -159.212
where: short stacking energy: -73.040
Base-Backbone interact. energy: -0.050
local terms energy: -66.520892
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -228.243074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.243074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.243074 (E_RNA)
where:
Base-Base interactions energy: -151.820
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.001
local terms energy: -76.421952
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -219.231349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.231349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.231349 (E_RNA)
where:
Base-Base interactions energy: -160.346
where: short stacking energy: -65.743
Base-Backbone interact. energy: -0.614
local terms energy: -58.271409
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -18.172
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: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -217.360770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.360770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.360770 (E_RNA)
where:
Base-Base interactions energy: -150.435
where: short stacking energy: -72.156
Base-Backbone interact. energy: -0.013
local terms energy: -66.912791
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -81.921800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.921800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.921800 (E_RNA)
where:
Base-Base interactions energy: -28.739
where: short stacking energy: -28.739
Base-Backbone interact. energy: -0.189
local terms energy: -52.993670
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -82.487297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.487297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.487297 (E_RNA)
where:
Base-Base interactions energy: -27.460
where: short stacking energy: -29.360
Base-Backbone interact. energy: -0.101
local terms energy: -54.925746
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -243.912694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.912694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.912694 (E_RNA)
where:
Base-Base interactions energy: -166.370
where: short stacking energy: -68.879
Base-Backbone interact. energy: -1.008
local terms energy: -76.535345
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -236.413755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.413755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.413755 (E_RNA)
where:
Base-Base interactions energy: -162.075
where: short stacking energy: -75.018
Base-Backbone interact. energy: -0.207
local terms energy: -74.131432
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -242.416619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.416619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.416619 (E_RNA)
where:
Base-Base interactions energy: -165.437
where: short stacking energy: -72.700
Base-Backbone interact. energy: -0.603
local terms energy: -76.376612
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -232.734007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.734007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.734007 (E_RNA)
where:
Base-Base interactions energy: -165.446
where: short stacking energy: -75.840
Base-Backbone interact. energy: -0.002
local terms energy: -67.285766
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -228.846955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.846955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.846955 (E_RNA)
where:
Base-Base interactions energy: -156.633
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.164
local terms energy: -72.049418
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -223.524292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.524292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.524292 (E_RNA)
where:
Base-Base interactions energy: -156.299
where: short stacking energy: -61.277
Base-Backbone interact. energy: -0.295
local terms energy: -66.929837
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -18.124
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: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -222.780464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.780464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.780464 (E_RNA)
where:
Base-Base interactions energy: -151.641
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.622
local terms energy: -70.517303
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -19.668
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: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -231.192580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.192580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.192580 (E_RNA)
where:
Base-Base interactions energy: -160.196
where: short stacking energy: -74.524
Base-Backbone interact. energy: -0.655
local terms energy: -70.341865
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -95.234526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.234526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.234526 (E_RNA)
where:
Base-Base interactions energy: -48.047
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.031
local terms energy: -47.156837
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -4.396
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: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -75.337647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.337647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.337647 (E_RNA)
where:
Base-Base interactions energy: -40.038
where: short stacking energy: -40.038
Base-Backbone interact. energy: 0.962
local terms energy: -36.261119
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -245.805846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.805846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.805846 (E_RNA)
where:
Base-Base interactions energy: -175.406
where: short stacking energy: -81.928
Base-Backbone interact. energy: -0.829
local terms energy: -69.570991
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -243.362347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.362347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.362347 (E_RNA)
where:
Base-Base interactions energy: -165.106
where: short stacking energy: -67.793
Base-Backbone interact. energy: 1.466
local terms energy: -79.722426
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -18.625
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: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -238.864985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.864985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.864985 (E_RNA)
where:
Base-Base interactions energy: -161.827
where: short stacking energy: -77.950
Base-Backbone interact. energy: -0.001
local terms energy: -77.036537
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -230.551338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.551338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.551338 (E_RNA)
where:
Base-Base interactions energy: -160.117
where: short stacking energy: -77.231
Base-Backbone interact. energy: -0.600
local terms energy: -69.834483
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -19.298
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: 300
Temperature: 1.100000
Total energy: -221.658574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.658574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.658574 (E_RNA)
where:
Base-Base interactions energy: -152.578
where: short stacking energy: -62.559
Base-Backbone interact. energy: 0.490
local terms energy: -69.570898
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -15.324
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: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -231.219278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.219278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.219278 (E_RNA)
where:
Base-Base interactions energy: -157.059
where: short stacking energy: -74.997
Base-Backbone interact. energy: -0.643
local terms energy: -73.517790
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -21.598
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: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -213.548388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.548388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.548388 (E_RNA)
where:
Base-Base interactions energy: -155.286
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.374
local terms energy: -57.888120
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -227.024861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.024861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.024861 (E_RNA)
where:
Base-Base interactions energy: -153.141
where: short stacking energy: -76.591
Base-Backbone interact. energy: -1.144
local terms energy: -72.740006
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -79.585138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.585138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.585138 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -23.788
Base-Backbone interact. energy: -0.888
local terms energy: -50.965267
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -81.689894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.689894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.689894 (E_RNA)
where:
Base-Base interactions energy: -30.394
where: short stacking energy: -19.837
Base-Backbone interact. energy: -0.362
local terms energy: -50.933784
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: 2.489
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: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -247.925186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.925186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.925186 (E_RNA)
where:
Base-Base interactions energy: -172.700
where: short stacking energy: -73.094
Base-Backbone interact. energy: -0.661
local terms energy: -74.563827
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -17.839
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: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -240.842738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.842738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.842738 (E_RNA)
where:
Base-Base interactions energy: -163.364
where: short stacking energy: -77.135
Base-Backbone interact. energy: -0.001
local terms energy: -77.477188
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -23.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -222.240438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.240438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.240438 (E_RNA)
where:
Base-Base interactions energy: -153.219
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.345
local terms energy: -68.676876
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -12.442
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: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -237.827367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.827367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.827367 (E_RNA)
where:
Base-Base interactions energy: -163.265
where: short stacking energy: -72.073
Base-Backbone interact. energy: -0.005
local terms energy: -74.557037
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -220.679813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.679813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.679813 (E_RNA)
where:
Base-Base interactions energy: -153.817
where: short stacking energy: -67.209
Base-Backbone interact. energy: 2.292
local terms energy: -69.154235
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -14.116
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: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -230.731582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.731582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.731582 (E_RNA)
where:
Base-Base interactions energy: -162.824
where: short stacking energy: -73.707
Base-Backbone interact. energy: -0.442
local terms energy: -67.465858
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -19.297
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: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -225.500373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.500373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.500373 (E_RNA)
where:
Base-Base interactions energy: -157.965
where: short stacking energy: -61.439
Base-Backbone interact. energy: -0.037
local terms energy: -67.498221
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.002
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: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -213.406144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.406144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.406144 (E_RNA)
where:
Base-Base interactions energy: -147.852
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.003
local terms energy: -65.551112
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -20.548
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: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -85.586894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.586894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.586894 (E_RNA)
where:
Base-Base interactions energy: -36.485
where: short stacking energy: -34.168
Base-Backbone interact. energy: -0.349
local terms energy: -48.753136
where:
bonds (distance) C4'-P energy: -6.457
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -75.974713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.974713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.974713 (E_RNA)
where:
Base-Base interactions energy: -25.402
where: short stacking energy: -22.881
Base-Backbone interact. energy: -0.284
local terms energy: -50.288241
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -244.180516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.180516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.180516 (E_RNA)
where:
Base-Base interactions energy: -168.944
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.263
local terms energy: -74.973613
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -18.669
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: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -242.335896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.335896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.335896 (E_RNA)
where:
Base-Base interactions energy: -168.408
where: short stacking energy: -70.901
Base-Backbone interact. energy: -0.650
local terms energy: -73.277745
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -250.154849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.154849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.154849 (E_RNA)
where:
Base-Base interactions energy: -168.876
where: short stacking energy: -80.532
Base-Backbone interact. energy: -0.083
local terms energy: -81.195580
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -20.312
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: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -236.413343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.413343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.413343 (E_RNA)
where:
Base-Base interactions energy: -169.745
where: short stacking energy: -80.007
Base-Backbone interact. energy: -0.043
local terms energy: -66.624810
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -20.856
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: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -234.451089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.451089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.451089 (E_RNA)
where:
Base-Base interactions energy: -158.942
where: short stacking energy: -70.775
Base-Backbone interact. energy: -1.273
local terms energy: -74.235960
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -220.657622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.657622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.657622 (E_RNA)
where:
Base-Base interactions energy: -152.736
where: short stacking energy: -69.334
Base-Backbone interact. energy: -0.001
local terms energy: -67.921295
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -225.250159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.250159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.250159 (E_RNA)
where:
Base-Base interactions energy: -156.857
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.043
local terms energy: -68.350529
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -208.673512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.673512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.673512 (E_RNA)
where:
Base-Base interactions energy: -156.737
where: short stacking energy: -63.088
Base-Backbone interact. energy: -0.099
local terms energy: -51.838131
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -80.736153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.736153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.736153 (E_RNA)
where:
Base-Base interactions energy: -33.436
where: short stacking energy: -32.623
Base-Backbone interact. energy: -0.320
local terms energy: -46.981041
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -76.793103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.793103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.793103 (E_RNA)
where:
Base-Base interactions energy: -31.865
where: short stacking energy: -22.409
Base-Backbone interact. energy: -0.183
local terms energy: -44.745151
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: 0.594
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: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -244.530620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.530620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.530620 (E_RNA)
where:
Base-Base interactions energy: -174.910
where: short stacking energy: -70.545
Base-Backbone interact. energy: -0.450
local terms energy: -69.170629
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -236.548164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.548164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.548164 (E_RNA)
where:
Base-Base interactions energy: -169.543
where: short stacking energy: -73.124
Base-Backbone interact. energy: -0.007
local terms energy: -66.998471
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -18.625
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: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -239.825296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.825296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.825296 (E_RNA)
where:
Base-Base interactions energy: -166.542
where: short stacking energy: -79.159
Base-Backbone interact. energy: -0.000
local terms energy: -73.282840
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -21.444
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: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -231.924767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.924767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.924767 (E_RNA)
where:
Base-Base interactions energy: -157.260
where: short stacking energy: -72.678
Base-Backbone interact. energy: -0.071
local terms energy: -74.593846
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -231.484463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.484463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.484463 (E_RNA)
where:
Base-Base interactions energy: -161.012
where: short stacking energy: -75.672
Base-Backbone interact. energy: -0.016
local terms energy: -70.456420
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -213.747304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.747304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.747304 (E_RNA)
where:
Base-Base interactions energy: -148.646
where: short stacking energy: -64.674
Base-Backbone interact. energy: -0.235
local terms energy: -64.866625
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -226.401552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.401552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.401552 (E_RNA)
where:
Base-Base interactions energy: -156.572
where: short stacking energy: -72.856
Base-Backbone interact. energy: -0.003
local terms energy: -69.826967
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -212.794586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.794586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.794586 (E_RNA)
where:
Base-Base interactions energy: -134.588
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.009
local terms energy: -78.197561
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -20.359
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: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -71.107665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.107665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.107665 (E_RNA)
where:
Base-Base interactions energy: -23.255
where: short stacking energy: -21.193
Base-Backbone interact. energy: -0.263
local terms energy: -47.589581
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -74.007164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.007164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.007164 (E_RNA)
where:
Base-Base interactions energy: -37.754
where: short stacking energy: -29.056
Base-Backbone interact. energy: -0.088
local terms energy: -36.164856
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: 3.841
tors. eta vs tors. theta energy: -7.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -246.974404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.974404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.974404 (E_RNA)
where:
Base-Base interactions energy: -170.174
where: short stacking energy: -80.109
Base-Backbone interact. energy: -1.818
local terms energy: -74.981984
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -241.232655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.232655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.232655 (E_RNA)
where:
Base-Base interactions energy: -164.691
where: short stacking energy: -72.702
Base-Backbone interact. energy: -1.096
local terms energy: -75.446117
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -18.486
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: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -238.793200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.793200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.793200 (E_RNA)
where:
Base-Base interactions energy: -159.323
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.090
local terms energy: -79.380360
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -239.837383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.837383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.837383 (E_RNA)
where:
Base-Base interactions energy: -166.442
where: short stacking energy: -71.787
Base-Backbone interact. energy: 0.283
local terms energy: -73.678229
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -225.191667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.191667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.191667 (E_RNA)
where:
Base-Base interactions energy: -155.516
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.178
local terms energy: -69.497952
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -223.847847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.847847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.847847 (E_RNA)
where:
Base-Base interactions energy: -153.113
where: short stacking energy: -64.691
Base-Backbone interact. energy: -0.145
local terms energy: -70.590316
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -225.501588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.501588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.501588 (E_RNA)
where:
Base-Base interactions energy: -155.475
where: short stacking energy: -71.293
Base-Backbone interact. energy: -0.100
local terms energy: -69.926086
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -6.549
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -216.264736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.264736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.264736 (E_RNA)
where:
Base-Base interactions energy: -150.540
where: short stacking energy: -67.720
Base-Backbone interact. energy: -0.002
local terms energy: -65.723063
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -125.946967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.946967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.946967 (E_RNA)
where:
Base-Base interactions energy: -76.094
where: short stacking energy: -35.046
Base-Backbone interact. energy: -0.154
local terms energy: -49.699364
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -6.863
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: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -82.395484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.395484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.395484 (E_RNA)
where:
Base-Base interactions energy: -39.241
where: short stacking energy: -19.185
Base-Backbone interact. energy: -0.546
local terms energy: -42.608331
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: 3.375
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: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -240.660048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.660048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.660048 (E_RNA)
where:
Base-Base interactions energy: -164.921
where: short stacking energy: -75.967
Base-Backbone interact. energy: -0.586
local terms energy: -75.153063
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -244.471038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.471038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.471038 (E_RNA)
where:
Base-Base interactions energy: -165.426
where: short stacking energy: -73.301
Base-Backbone interact. energy: -0.723
local terms energy: -78.322094
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -240.021958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.021958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.021958 (E_RNA)
where:
Base-Base interactions energy: -164.407
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.060
local terms energy: -75.554249
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -233.926769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.926769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.926769 (E_RNA)
where:
Base-Base interactions energy: -161.221
where: short stacking energy: -69.534
Base-Backbone interact. energy: -0.102
local terms energy: -72.603891
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -217.409493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.409493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.409493 (E_RNA)
where:
Base-Base interactions energy: -145.633
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.245
local terms energy: -71.531955
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -9.946
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: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -235.267642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.267642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.267642 (E_RNA)
where:
Base-Base interactions energy: -162.018
where: short stacking energy: -76.407
Base-Backbone interact. energy: -0.003
local terms energy: -73.246978
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -213.198021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.198021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.198021 (E_RNA)
where:
Base-Base interactions energy: -147.742
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.443
local terms energy: -65.013586
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -215.610996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.610996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.610996 (E_RNA)
where:
Base-Base interactions energy: -152.030
where: short stacking energy: -60.834
Base-Backbone interact. energy: -0.584
local terms energy: -62.996195
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -6.736
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: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -208.236284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.236284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.236284 (E_RNA)
where:
Base-Base interactions energy: -147.568
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.347
local terms energy: -60.322051
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -79.770463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.770463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.770463 (E_RNA)
where:
Base-Base interactions energy: -35.879
where: short stacking energy: -10.029
Base-Backbone interact. energy: -0.934
local terms energy: -42.957809
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: 4.594
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: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -250.247818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.247818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.247818 (E_RNA)
where:
Base-Base interactions energy: -171.529
where: short stacking energy: -81.193
Base-Backbone interact. energy: -0.304
local terms energy: -78.414667
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -22.185
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: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -246.913761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.913761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.913761 (E_RNA)
where:
Base-Base interactions energy: -165.521
where: short stacking energy: -78.112
Base-Backbone interact. energy: -0.000
local terms energy: -81.392805
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -231.972903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.972903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.972903 (E_RNA)
where:
Base-Base interactions energy: -154.987
where: short stacking energy: -70.372
Base-Backbone interact. energy: -0.677
local terms energy: -76.308418
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.681
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: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -245.808550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.808550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.808550 (E_RNA)
where:
Base-Base interactions energy: -172.996
where: short stacking energy: -75.079
Base-Backbone interact. energy: -0.325
local terms energy: -72.487797
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -20.685
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: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -218.728089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.728089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.728089 (E_RNA)
where:
Base-Base interactions energy: -150.329
where: short stacking energy: -65.214
Base-Backbone interact. energy: -0.108
local terms energy: -68.290961
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -228.826625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.826625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.826625 (E_RNA)
where:
Base-Base interactions energy: -163.084
where: short stacking energy: -65.436
Base-Backbone interact. energy: -0.305
local terms energy: -65.437647
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -218.731018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.731018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.731018 (E_RNA)
where:
Base-Base interactions energy: -156.081
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.151
local terms energy: -62.498395
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -20.412
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: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -209.376498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.376498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.376498 (E_RNA)
where:
Base-Base interactions energy: -144.506
where: short stacking energy: -63.558
Base-Backbone interact. energy: -0.887
local terms energy: -63.983512
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -5.513
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: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -82.451265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.451265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.451265 (E_RNA)
where:
Base-Base interactions energy: -31.782
where: short stacking energy: -27.920
Base-Backbone interact. energy: 2.420
local terms energy: -53.089349
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -3.305
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: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -209.036219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.036219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.036219 (E_RNA)
where:
Base-Base interactions energy: -147.031
where: short stacking energy: -66.460
Base-Backbone interact. energy: -0.003
local terms energy: -62.002372
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -242.722844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.722844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.722844 (E_RNA)
where:
Base-Base interactions energy: -167.688
where: short stacking energy: -71.426
Base-Backbone interact. energy: -0.001
local terms energy: -75.033249
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -234.544132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.544132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.544132 (E_RNA)
where:
Base-Base interactions energy: -162.478
where: short stacking energy: -70.189
Base-Backbone interact. energy: -0.025
local terms energy: -72.041430
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -18.107
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: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -242.485956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.485956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.485956 (E_RNA)
where:
Base-Base interactions energy: -168.011
where: short stacking energy: -74.282
Base-Backbone interact. energy: -0.001
local terms energy: -74.474208
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -20.692
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -232.717936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.717936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.717936 (E_RNA)
where:
Base-Base interactions energy: -163.616
where: short stacking energy: -72.219
Base-Backbone interact. energy: -0.584
local terms energy: -68.517423
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -222.116220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.116220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.116220 (E_RNA)
where:
Base-Base interactions energy: -155.619
where: short stacking energy: -65.196
Base-Backbone interact. energy: -0.564
local terms energy: -65.933175
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -226.391248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.391248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.391248 (E_RNA)
where:
Base-Base interactions energy: -158.479
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.062
local terms energy: -67.849971
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -18.964
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: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -226.315662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.315662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.315662 (E_RNA)
where:
Base-Base interactions energy: -167.576
where: short stacking energy: -70.669
Base-Backbone interact. energy: -0.005
local terms energy: -58.734421
where:
bonds (distance) C4'-P energy: -7.595
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -220.874567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.874567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.874567 (E_RNA)
where:
Base-Base interactions energy: -154.034
where: short stacking energy: -63.988
Base-Backbone interact. energy: -0.002
local terms energy: -66.838870
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -19.281
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: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -88.216303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.216303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.216303 (E_RNA)
where:
Base-Base interactions energy: -44.434
where: short stacking energy: -28.863
Base-Backbone interact. energy: 1.466
local terms energy: -45.248550
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -202.295843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.295843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.295843 (E_RNA)
where:
Base-Base interactions energy: -143.142
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.056
local terms energy: -59.097485
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -243.931598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.931598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.931598 (E_RNA)
where:
Base-Base interactions energy: -171.843
where: short stacking energy: -76.214
Base-Backbone interact. energy: -0.038
local terms energy: -72.050220
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -241.184568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.184568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.184568 (E_RNA)
where:
Base-Base interactions energy: -166.527
where: short stacking energy: -73.774
Base-Backbone interact. energy: -0.072
local terms energy: -74.584919
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -240.238004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.238004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.238004 (E_RNA)
where:
Base-Base interactions energy: -163.936
where: short stacking energy: -69.405
Base-Backbone interact. energy: -0.001
local terms energy: -76.301152
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -236.598488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.598488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.598488 (E_RNA)
where:
Base-Base interactions energy: -166.942
where: short stacking energy: -79.616
Base-Backbone interact. energy: -0.001
local terms energy: -69.655669
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -226.153712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.153712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.153712 (E_RNA)
where:
Base-Base interactions energy: -146.246
where: short stacking energy: -65.022
Base-Backbone interact. energy: -0.243
local terms energy: -79.665160
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -17.583
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: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -232.471545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.471545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.471545 (E_RNA)
where:
Base-Base interactions energy: -160.579
where: short stacking energy: -69.610
Base-Backbone interact. energy: -0.002
local terms energy: -71.890366
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -215.520104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.520104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.520104 (E_RNA)
where:
Base-Base interactions energy: -143.468
where: short stacking energy: -61.702
Base-Backbone interact. energy: 0.066
local terms energy: -72.118093
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -217.305506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.305506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.305506 (E_RNA)
where:
Base-Base interactions energy: -147.490
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.279
local terms energy: -69.535860
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -211.965615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.965615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.965615 (E_RNA)
where:
Base-Base interactions energy: -154.253
where: short stacking energy: -66.449
Base-Backbone interact. energy: -0.506
local terms energy: -57.207016
where:
bonds (distance) C4'-P energy: -6.426
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -10.179
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: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -76.547453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.547453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.547453 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -31.152
Base-Backbone interact. energy: 1.737
local terms energy: -45.940859
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: 2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -250.630824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.630824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.630824 (E_RNA)
where:
Base-Base interactions energy: -171.641
where: short stacking energy: -73.537
Base-Backbone interact. energy: -1.297
local terms energy: -77.693307
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -244.491926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.491926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.491926 (E_RNA)
where:
Base-Base interactions energy: -171.150
where: short stacking energy: -76.420
Base-Backbone interact. energy: -0.605
local terms energy: -72.736122
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -237.515449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.515449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.515449 (E_RNA)
where:
Base-Base interactions energy: -164.672
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.104
local terms energy: -72.740250
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -9.599
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: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -232.219218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.219218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.219218 (E_RNA)
where:
Base-Base interactions energy: -163.219
where: short stacking energy: -74.484
Base-Backbone interact. energy: -0.007
local terms energy: -68.993163
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -233.864686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.864686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.864686 (E_RNA)
where:
Base-Base interactions energy: -159.196
where: short stacking energy: -72.069
Base-Backbone interact. energy: -0.008
local terms energy: -74.660950
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -234.802406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.802406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.802406 (E_RNA)
where:
Base-Base interactions energy: -165.080
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.740
local terms energy: -68.982814
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -9.971
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: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -222.812375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.812375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.812375 (E_RNA)
where:
Base-Base interactions energy: -160.145
where: short stacking energy: -69.729
Base-Backbone interact. energy: -0.420
local terms energy: -62.247457
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -19.102
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: 309
Temperature: 1.250000
Total energy: -211.849735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.849735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.849735 (E_RNA)
where:
Base-Base interactions energy: -146.739
where: short stacking energy: -60.619
Base-Backbone interact. energy: -0.089
local terms energy: -65.021768
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -5.922
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: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -221.567524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.567524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.567524 (E_RNA)
where:
Base-Base interactions energy: -156.377
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.083
local terms energy: -65.107104
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -7.948
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -18.903
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: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -83.974125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.974125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.974125 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -33.725
Base-Backbone interact. energy: 0.296
local terms energy: -50.545169
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -244.551949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.551949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.551949 (E_RNA)
where:
Base-Base interactions energy: -174.119
where: short stacking energy: -75.083
Base-Backbone interact. energy: -0.000
local terms energy: -70.432858
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -243.153652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.153652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.153652 (E_RNA)
where:
Base-Base interactions energy: -166.146
where: short stacking energy: -69.368
Base-Backbone interact. energy: -1.368
local terms energy: -75.639515
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -18.691
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: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -235.808983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.808983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.808983 (E_RNA)
where:
Base-Base interactions energy: -160.957
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.233
local terms energy: -74.619326
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -232.243483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.243483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.243483 (E_RNA)
where:
Base-Base interactions energy: -160.082
where: short stacking energy: -74.109
Base-Backbone interact. energy: -0.763
local terms energy: -71.398169
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -19.755
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: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -233.973920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.973920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.973920 (E_RNA)
where:
Base-Base interactions energy: -159.859
where: short stacking energy: -73.318
Base-Backbone interact. energy: -0.005
local terms energy: -74.109997
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -19.180
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: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -221.811836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.811836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.811836 (E_RNA)
where:
Base-Base interactions energy: -152.944
where: short stacking energy: -72.694
Base-Backbone interact. energy: -0.001
local terms energy: -68.867100
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -213.652919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.652919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.652919 (E_RNA)
where:
Base-Base interactions energy: -153.810
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.054
local terms energy: -59.788893
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -228.535489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.535489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.535489 (E_RNA)
where:
Base-Base interactions energy: -158.943
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.056
local terms energy: -69.536786
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -212.880309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.880309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.880309 (E_RNA)
where:
Base-Base interactions energy: -151.624
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.313
local terms energy: -60.944065
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -16.809
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: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -71.048496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.048496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.048496 (E_RNA)
where:
Base-Base interactions energy: -15.686
where: short stacking energy: -15.686
Base-Backbone interact. energy: -0.177
local terms energy: -55.185389
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -249.700005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.700005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.700005 (E_RNA)
where:
Base-Base interactions energy: -174.524
where: short stacking energy: -75.265
Base-Backbone interact. energy: -0.450
local terms energy: -74.726084
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -20.264
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: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -240.643439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.643439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.643439 (E_RNA)
where:
Base-Base interactions energy: -165.729
where: short stacking energy: -75.002
Base-Backbone interact. energy: -0.299
local terms energy: -74.615215
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -238.268156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.268156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.268156 (E_RNA)
where:
Base-Base interactions energy: -167.628
where: short stacking energy: -71.041
Base-Backbone interact. energy: -0.180
local terms energy: -70.459427
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -11.214
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: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -231.045825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.045825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.045825 (E_RNA)
where:
Base-Base interactions energy: -154.655
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.095
local terms energy: -76.294939
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -18.361
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: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -230.583665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.583665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.583665 (E_RNA)
where:
Base-Base interactions energy: -158.016
where: short stacking energy: -73.639
Base-Backbone interact. energy: -0.002
local terms energy: -72.566097
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -220.506793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.506793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.506793 (E_RNA)
where:
Base-Base interactions energy: -151.279
where: short stacking energy: -57.654
Base-Backbone interact. energy: -0.183
local terms energy: -69.044393
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -15.859
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: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -221.070962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.070962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.070962 (E_RNA)
where:
Base-Base interactions energy: -155.092
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.684
local terms energy: -65.295804
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -16.758
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: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -213.168774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.168774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.168774 (E_RNA)
where:
Base-Base interactions energy: -144.833
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.004
local terms energy: -68.331411
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -202.139112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.139112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.139112 (E_RNA)
where:
Base-Base interactions energy: -135.561
where: short stacking energy: -63.742
Base-Backbone interact. energy: 1.151
local terms energy: -67.728648
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -18.875
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: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -76.903025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.903025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.903025 (E_RNA)
where:
Base-Base interactions energy: -32.761
where: short stacking energy: -32.496
Base-Backbone interact. energy: -0.301
local terms energy: -43.841157
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -249.118402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.118402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.118402 (E_RNA)
where:
Base-Base interactions energy: -175.972
where: short stacking energy: -85.287
Base-Backbone interact. energy: -0.000
local terms energy: -73.146031
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -244.772484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.772484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.772484 (E_RNA)
where:
Base-Base interactions energy: -171.192
where: short stacking energy: -74.641
Base-Backbone interact. energy: -0.002
local terms energy: -73.577879
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -18.744
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: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -242.605970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.605970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.605970 (E_RNA)
where:
Base-Base interactions energy: -165.727
where: short stacking energy: -79.739
Base-Backbone interact. energy: -0.051
local terms energy: -76.827654
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -240.186118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.186118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.186118 (E_RNA)
where:
Base-Base interactions energy: -170.210
where: short stacking energy: -78.934
Base-Backbone interact. energy: -0.642
local terms energy: -69.334225
where:
bonds (distance) C4'-P energy: -6.318
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -232.687956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.687956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.687956 (E_RNA)
where:
Base-Base interactions energy: -155.864
where: short stacking energy: -59.376
Base-Backbone interact. energy: -0.001
local terms energy: -76.822909
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -218.517057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.517057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.517057 (E_RNA)
where:
Base-Base interactions energy: -158.034
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.094
local terms energy: -60.388614
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -11.615
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: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -224.146042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.146042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.146042 (E_RNA)
where:
Base-Base interactions energy: -162.069
where: short stacking energy: -71.659
Base-Backbone interact. energy: -0.366
local terms energy: -61.711057
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -224.085262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.085262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.085262 (E_RNA)
where:
Base-Base interactions energy: -151.306
where: short stacking energy: -64.636
Base-Backbone interact. energy: -0.736
local terms energy: -72.042784
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -209.949757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.949757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.949757 (E_RNA)
where:
Base-Base interactions energy: -145.200
where: short stacking energy: -63.150
Base-Backbone interact. energy: 0.595
local terms energy: -65.344296
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -12.434
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: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -76.810214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.810214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.810214 (E_RNA)
where:
Base-Base interactions energy: -28.319
where: short stacking energy: -25.181
Base-Backbone interact. energy: -0.311
local terms energy: -48.179823
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -246.400875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.400875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.400875 (E_RNA)
where:
Base-Base interactions energy: -171.299
where: short stacking energy: -77.352
Base-Backbone interact. energy: -1.682
local terms energy: -73.420119
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -20.568
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: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -251.420743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.420743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.420743 (E_RNA)
where:
Base-Base interactions energy: -167.717
where: short stacking energy: -81.592
Base-Backbone interact. energy: -0.160
local terms energy: -83.543427
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -24.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -236.917590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.917590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.917590 (E_RNA)
where:
Base-Base interactions energy: -161.920
where: short stacking energy: -72.032
Base-Backbone interact. energy: -0.081
local terms energy: -74.916648
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -223.889386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.889386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.889386 (E_RNA)
where:
Base-Base interactions energy: -151.339
where: short stacking energy: -66.224
Base-Backbone interact. energy: -1.108
local terms energy: -71.442380
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -219.439126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.439126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.439126 (E_RNA)
where:
Base-Base interactions energy: -155.708
where: short stacking energy: -59.305
Base-Backbone interact. energy: -0.255
local terms energy: -63.476254
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -7.709
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: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -228.946280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.946280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.946280 (E_RNA)
where:
Base-Base interactions energy: -156.248
where: short stacking energy: -64.895
Base-Backbone interact. energy: -0.000
local terms energy: -72.697813
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -223.034677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.034677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.034677 (E_RNA)
where:
Base-Base interactions energy: -151.919
where: short stacking energy: -65.899
Base-Backbone interact. energy: -0.979
local terms energy: -70.136713
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -202.123008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.123008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.123008 (E_RNA)
where:
Base-Base interactions energy: -142.539
where: short stacking energy: -66.731
Base-Backbone interact. energy: -0.021
local terms energy: -59.562714
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -212.047772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.047772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.047772 (E_RNA)
where:
Base-Base interactions energy: -148.313
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.003
local terms energy: -63.731472
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -19.154
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: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -74.431353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.431353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.431353 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -25.903
Base-Backbone interact. energy: -0.532
local terms energy: -42.601982
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -246.031785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.031785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.031785 (E_RNA)
where:
Base-Base interactions energy: -170.815
where: short stacking energy: -75.334
Base-Backbone interact. energy: -0.000
local terms energy: -75.216736
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -238.410752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.410752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.410752 (E_RNA)
where:
Base-Base interactions energy: -162.630
where: short stacking energy: -73.210
Base-Backbone interact. energy: -0.003
local terms energy: -75.777466
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -235.129651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.129651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.129651 (E_RNA)
where:
Base-Base interactions energy: -162.860
where: short stacking energy: -70.223
Base-Backbone interact. energy: -0.000
local terms energy: -72.269440
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -236.149270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.149270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.149270 (E_RNA)
where:
Base-Base interactions energy: -156.892
where: short stacking energy: -72.737
Base-Backbone interact. energy: -0.125
local terms energy: -79.132150
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -227.908488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.908488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.908488 (E_RNA)
where:
Base-Base interactions energy: -158.354
where: short stacking energy: -69.721
Base-Backbone interact. energy: -0.005
local terms energy: -69.549735
where:
bonds (distance) C4'-P energy: -7.857
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -19.579
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: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -238.282804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.282804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.282804 (E_RNA)
where:
Base-Base interactions energy: -165.168
where: short stacking energy: -71.050
Base-Backbone interact. energy: -0.004
local terms energy: -73.110191
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -219.097331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.097331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.097331 (E_RNA)
where:
Base-Base interactions energy: -159.290
where: short stacking energy: -69.972
Base-Backbone interact. energy: -0.097
local terms energy: -59.710307
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -209.865953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.865953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.865953 (E_RNA)
where:
Base-Base interactions energy: -150.796
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.000
local terms energy: -59.070266
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -212.236052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.236052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.236052 (E_RNA)
where:
Base-Base interactions energy: -155.786
where: short stacking energy: -68.076
Base-Backbone interact. energy: -0.294
local terms energy: -56.155490
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -77.262656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.262656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.262656 (E_RNA)
where:
Base-Base interactions energy: -25.758
where: short stacking energy: -25.736
Base-Backbone interact. energy: 0.484
local terms energy: -51.989296
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -5.905
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: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -247.742386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.742386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.742386 (E_RNA)
where:
Base-Base interactions energy: -169.563
where: short stacking energy: -77.455
Base-Backbone interact. energy: 1.559
local terms energy: -79.737577
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -247.741432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.741432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.741432 (E_RNA)
where:
Base-Base interactions energy: -174.683
where: short stacking energy: -73.541
Base-Backbone interact. energy: -0.666
local terms energy: -72.391737
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -13.176
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: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -237.051939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.051939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.051939 (E_RNA)
where:
Base-Base interactions energy: -164.289
where: short stacking energy: -69.772
Base-Backbone interact. energy: -0.555
local terms energy: -72.208489
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -237.174591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.174591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.174591 (E_RNA)
where:
Base-Base interactions energy: -163.893
where: short stacking energy: -69.017
Base-Backbone interact. energy: -0.000
local terms energy: -73.281405
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -229.240444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.240444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.240444 (E_RNA)
where:
Base-Base interactions energy: -155.401
where: short stacking energy: -70.602
Base-Backbone interact. energy: -0.154
local terms energy: -73.685015
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -221.309079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.309079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.309079 (E_RNA)
where:
Base-Base interactions energy: -151.442
where: short stacking energy: -60.776
Base-Backbone interact. energy: -0.085
local terms energy: -69.781432
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.167
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: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -215.963016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.963016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.963016 (E_RNA)
where:
Base-Base interactions energy: -147.236
where: short stacking energy: -67.548
Base-Backbone interact. energy: -0.417
local terms energy: -68.310273
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -19.262
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: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -213.524432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.524432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.524432 (E_RNA)
where:
Base-Base interactions energy: -149.189
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.314
local terms energy: -64.021471
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -15.157
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: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -197.985509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.985509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.985509 (E_RNA)
where:
Base-Base interactions energy: -141.428
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.055
local terms energy: -56.503229
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -69.663190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.663190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.663190 (E_RNA)
where:
Base-Base interactions energy: -21.316
where: short stacking energy: -21.316
Base-Backbone interact. energy: -0.129
local terms energy: -48.218048
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: 2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -250.706816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.706816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.706816 (E_RNA)
where:
Base-Base interactions energy: -174.939
where: short stacking energy: -76.554
Base-Backbone interact. energy: -2.338
local terms energy: -73.430343
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -240.219679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.219679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.219679 (E_RNA)
where:
Base-Base interactions energy: -161.693
where: short stacking energy: -74.316
Base-Backbone interact. energy: -0.007
local terms energy: -78.519355
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -240.937262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.937262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.937262 (E_RNA)
where:
Base-Base interactions energy: -168.162
where: short stacking energy: -80.335
Base-Backbone interact. energy: -0.589
local terms energy: -72.186567
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -235.615940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.615940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.615940 (E_RNA)
where:
Base-Base interactions energy: -161.579
where: short stacking energy: -72.626
Base-Backbone interact. energy: -0.279
local terms energy: -73.757425
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -229.509090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.509090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.509090 (E_RNA)
where:
Base-Base interactions energy: -155.015
where: short stacking energy: -74.273
Base-Backbone interact. energy: -0.118
local terms energy: -74.375615
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -19.934
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: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -230.874596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.874596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.874596 (E_RNA)
where:
Base-Base interactions energy: -157.396
where: short stacking energy: -73.086
Base-Backbone interact. energy: -0.102
local terms energy: -73.376578
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -222.658426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.658426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.658426 (E_RNA)
where:
Base-Base interactions energy: -159.184
where: short stacking energy: -74.464
Base-Backbone interact. energy: -0.529
local terms energy: -62.944938
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -7.064
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -215.262747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.262747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.262747 (E_RNA)
where:
Base-Base interactions energy: -158.203
where: short stacking energy: -71.041
Base-Backbone interact. energy: -0.079
local terms energy: -56.980793
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -215.932516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.932516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.932516 (E_RNA)
where:
Base-Base interactions energy: -153.432
where: short stacking energy: -62.582
Base-Backbone interact. energy: -0.122
local terms energy: -62.378652
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -5.000
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: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -90.907554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.907554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.907554 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -32.401
Base-Backbone interact. energy: -0.088
local terms energy: -47.318768
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -2.118
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: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -243.305903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.305903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.305903 (E_RNA)
where:
Base-Base interactions energy: -168.221
where: short stacking energy: -75.876
Base-Backbone interact. energy: -0.000
local terms energy: -75.084486
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -248.637811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.637811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.637811 (E_RNA)
where:
Base-Base interactions energy: -171.155
where: short stacking energy: -78.085
Base-Backbone interact. energy: -0.632
local terms energy: -76.850473
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -234.580031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.580031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.580031 (E_RNA)
where:
Base-Base interactions energy: -160.413
where: short stacking energy: -73.144
Base-Backbone interact. energy: -0.627
local terms energy: -73.539092
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -20.181
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: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -241.528312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.528312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.528312 (E_RNA)
where:
Base-Base interactions energy: -171.088
where: short stacking energy: -78.600
Base-Backbone interact. energy: -0.001
local terms energy: -70.438950
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -19.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -228.257398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.257398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.257398 (E_RNA)
where:
Base-Base interactions energy: -155.107
where: short stacking energy: -72.254
Base-Backbone interact. energy: -0.040
local terms energy: -73.111065
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -225.938464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.938464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.938464 (E_RNA)
where:
Base-Base interactions energy: -160.824
where: short stacking energy: -72.428
Base-Backbone interact. energy: 0.011
local terms energy: -65.124573
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -218.138710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.138710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.138710 (E_RNA)
where:
Base-Base interactions energy: -158.949
where: short stacking energy: -68.111
Base-Backbone interact. energy: -0.120
local terms energy: -59.069754
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -4.540
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: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -212.518888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.518888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.518888 (E_RNA)
where:
Base-Base interactions energy: -154.095
where: short stacking energy: -64.641
Base-Backbone interact. energy: -0.253
local terms energy: -58.170885
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -9.944
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: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -213.414649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.414649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.414649 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.143
local terms energy: -62.272051
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -6.129
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: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -72.947124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.947124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.947124 (E_RNA)
where:
Base-Base interactions energy: -32.188
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.152
local terms energy: -40.606168
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -247.663998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.663998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.663998 (E_RNA)
where:
Base-Base interactions energy: -171.663
where: short stacking energy: -76.458
Base-Backbone interact. energy: -0.001
local terms energy: -76.000784
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -240.352976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.352976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.352976 (E_RNA)
where:
Base-Base interactions energy: -170.526
where: short stacking energy: -69.684
Base-Backbone interact. energy: -0.632
local terms energy: -69.194990
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -16.684
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: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -243.642836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.642836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.642836 (E_RNA)
where:
Base-Base interactions energy: -163.792
where: short stacking energy: -76.938
Base-Backbone interact. energy: -0.159
local terms energy: -79.691492
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -246.716807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.716807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.716807 (E_RNA)
where:
Base-Base interactions energy: -166.607
where: short stacking energy: -81.861
Base-Backbone interact. energy: -0.405
local terms energy: -79.705099
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -229.641248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.641248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.641248 (E_RNA)
where:
Base-Base interactions energy: -156.050
where: short stacking energy: -68.904
Base-Backbone interact. energy: -0.091
local terms energy: -73.500877
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -206.481995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.481995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.481995 (E_RNA)
where:
Base-Base interactions energy: -146.993
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.385
local terms energy: -59.103569
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -10.344
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: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -221.451877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.451877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.451877 (E_RNA)
where:
Base-Base interactions energy: -153.615
where: short stacking energy: -63.953
Base-Backbone interact. energy: -0.308
local terms energy: -67.529103
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -214.771634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.771634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.771634 (E_RNA)
where:
Base-Base interactions energy: -147.881
where: short stacking energy: -63.486
Base-Backbone interact. energy: -0.297
local terms energy: -66.593957
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -214.800691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.800691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.800691 (E_RNA)
where:
Base-Base interactions energy: -151.875
where: short stacking energy: -62.611
Base-Backbone interact. energy: -0.063
local terms energy: -62.863075
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -72.186574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.186574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.186574 (E_RNA)
where:
Base-Base interactions energy: -35.461
where: short stacking energy: -29.275
Base-Backbone interact. energy: -0.154
local terms energy: -36.571769
where:
bonds (distance) C4'-P energy: -6.665
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -241.243244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.243244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.243244 (E_RNA)
where:
Base-Base interactions energy: -170.232
where: short stacking energy: -79.182
Base-Backbone interact. energy: -0.035
local terms energy: -70.976595
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -19.195
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: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -246.452674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.452674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.452674 (E_RNA)
where:
Base-Base interactions energy: -168.611
where: short stacking energy: -82.407
Base-Backbone interact. energy: -0.001
local terms energy: -77.840517
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -19.977
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: 319
Temperature: 1.000000
Total energy: -239.247233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.247233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.247233 (E_RNA)
where:
Base-Base interactions energy: -166.957
where: short stacking energy: -74.050
Base-Backbone interact. energy: -0.003
local terms energy: -72.286590
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -10.594
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -238.280063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.280063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.280063 (E_RNA)
where:
Base-Base interactions energy: -165.886
where: short stacking energy: -80.811
Base-Backbone interact. energy: -0.000
local terms energy: -72.394128
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -238.504053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.504053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.504053 (E_RNA)
where:
Base-Base interactions energy: -163.158
where: short stacking energy: -72.905
Base-Backbone interact. energy: -0.412
local terms energy: -74.934039
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -224.004502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.004502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.004502 (E_RNA)
where:
Base-Base interactions energy: -153.591
where: short stacking energy: -65.071
Base-Backbone interact. energy: -0.915
local terms energy: -69.498579
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -15.266
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: 319
Temperature: 1.200000
Total energy: -216.565652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.565652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.565652 (E_RNA)
where:
Base-Base interactions energy: -156.629
where: short stacking energy: -63.072
Base-Backbone interact. energy: -0.127
local terms energy: -59.810222
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -6.751
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -18.963
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: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -216.951305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.951305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.951305 (E_RNA)
where:
Base-Base interactions energy: -157.756
where: short stacking energy: -71.460
Base-Backbone interact. energy: -0.396
local terms energy: -58.799521
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -13.832
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: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -199.227647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.227647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.227647 (E_RNA)
where:
Base-Base interactions energy: -144.517
where: short stacking energy: -61.984
Base-Backbone interact. energy: -0.102
local terms energy: -54.608362
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -7.170
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -73.784616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.784616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.784616 (E_RNA)
where:
Base-Base interactions energy: -32.687
where: short stacking energy: -32.401
Base-Backbone interact. energy: -1.272
local terms energy: -39.825987
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -246.161921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.161921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.161921 (E_RNA)
where:
Base-Base interactions energy: -174.986
where: short stacking energy: -79.831
Base-Backbone interact. energy: -1.754
local terms energy: -69.421617
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -21.027
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: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -243.929326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.929326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.929326 (E_RNA)
where:
Base-Base interactions energy: -168.264
where: short stacking energy: -80.013
Base-Backbone interact. energy: -0.576
local terms energy: -75.089438
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -236.347379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.347379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.347379 (E_RNA)
where:
Base-Base interactions energy: -162.241
where: short stacking energy: -77.773
Base-Backbone interact. energy: -0.056
local terms energy: -74.050798
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -235.740962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.740962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.740962 (E_RNA)
where:
Base-Base interactions energy: -168.372
where: short stacking energy: -81.914
Base-Backbone interact. energy: -0.847
local terms energy: -66.522234
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -231.401299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.401299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.401299 (E_RNA)
where:
Base-Base interactions energy: -156.801
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.016
local terms energy: -74.583928
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -230.675268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.675268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.675268 (E_RNA)
where:
Base-Base interactions energy: -159.726
where: short stacking energy: -71.296
Base-Backbone interact. energy: -0.124
local terms energy: -70.825833
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -220.551701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.551701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.551701 (E_RNA)
where:
Base-Base interactions energy: -149.549
where: short stacking energy: -70.579
Base-Backbone interact. energy: -0.047
local terms energy: -70.955507
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -19.646
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: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -206.926310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.926310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.926310 (E_RNA)
where:
Base-Base interactions energy: -139.261
where: short stacking energy: -55.533
Base-Backbone interact. energy: -0.279
local terms energy: -67.386379
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -12.345
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: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -196.971954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.971954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.971954 (E_RNA)
where:
Base-Base interactions energy: -138.954
where: short stacking energy: -63.095
Base-Backbone interact. energy: 1.708
local terms energy: -59.725390
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -9.719
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: 10, replica: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -75.571193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.571193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.571193 (E_RNA)
where:
Base-Base interactions energy: -31.071
where: short stacking energy: -31.071
Base-Backbone interact. energy: 1.154
local terms energy: -45.653871
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -246.332391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.332391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.332391 (E_RNA)
where:
Base-Base interactions energy: -166.956
where: short stacking energy: -77.107
Base-Backbone interact. energy: -1.896
local terms energy: -77.480188
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -19.621
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: 321
Temperature: 0.950000
Total energy: -240.706297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.706297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.706297 (E_RNA)
where:
Base-Base interactions energy: -164.615
where: short stacking energy: -76.077
Base-Backbone interact. energy: -0.198
local terms energy: -75.893226
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -240.019302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.019302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.019302 (E_RNA)
where:
Base-Base interactions energy: -170.304
where: short stacking energy: -72.317
Base-Backbone interact. energy: -0.004
local terms energy: -69.712042
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -232.567276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.567276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.567276 (E_RNA)
where:
Base-Base interactions energy: -164.153
where: short stacking energy: -75.442
Base-Backbone interact. energy: -0.002
local terms energy: -68.412234
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -12.492
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: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -231.301264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.301264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.301264 (E_RNA)
where:
Base-Base interactions energy: -161.006
where: short stacking energy: -78.081
Base-Backbone interact. energy: -0.190
local terms energy: -70.105525
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -21.160
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: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -241.564948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.564948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.564948 (E_RNA)
where:
Base-Base interactions energy: -174.365
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.813
local terms energy: -66.386676
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -214.322615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.322615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.322615 (E_RNA)
where:
Base-Base interactions energy: -151.102
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.170
local terms energy: -63.050075
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -7.370
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -224.276043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.276043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.276043 (E_RNA)
where:
Base-Base interactions energy: -159.973
where: short stacking energy: -61.835
Base-Backbone interact. energy: -0.759
local terms energy: -63.544425
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -206.428497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.428497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.428497 (E_RNA)
where:
Base-Base interactions energy: -143.058
where: short stacking energy: -61.884
Base-Backbone interact. energy: -0.219
local terms energy: -63.151852
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -75.519824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.519824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.519824 (E_RNA)
where:
Base-Base interactions energy: -26.396
where: short stacking energy: -26.396
Base-Backbone interact. energy: -0.104
local terms energy: -49.019405
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -2.851
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: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -246.216352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.216352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.216352 (E_RNA)
where:
Base-Base interactions energy: -176.510
where: short stacking energy: -71.722
Base-Backbone interact. energy: 1.595
local terms energy: -71.301371
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -12.524
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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -246.776951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.776951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.776951 (E_RNA)
where:
Base-Base interactions energy: -168.260
where: short stacking energy: -74.206
Base-Backbone interact. energy: -0.873
local terms energy: -77.643874
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -20.683
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: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -240.208856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.208856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.208856 (E_RNA)
where:
Base-Base interactions energy: -165.204
where: short stacking energy: -75.666
Base-Backbone interact. energy: -0.001
local terms energy: -75.003419
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -235.859838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.859838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.859838 (E_RNA)
where:
Base-Base interactions energy: -170.923
where: short stacking energy: -80.496
Base-Backbone interact. energy: -0.045
local terms energy: -64.891794
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -226.001062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.001062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.001062 (E_RNA)
where:
Base-Base interactions energy: -156.984
where: short stacking energy: -72.413
Base-Backbone interact. energy: -0.047
local terms energy: -68.970524
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -20.208
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: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -228.904145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.904145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.904145 (E_RNA)
where:
Base-Base interactions energy: -157.009
where: short stacking energy: -69.166
Base-Backbone interact. energy: -0.004
local terms energy: -71.890968
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -223.092064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.092064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.092064 (E_RNA)
where:
Base-Base interactions energy: -158.662
where: short stacking energy: -70.748
Base-Backbone interact. energy: -0.000
local terms energy: -64.430113
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -215.964753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.964753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.964753 (E_RNA)
where:
Base-Base interactions energy: -155.470
where: short stacking energy: -71.470
Base-Backbone interact. energy: -0.008
local terms energy: -60.486952
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -10.379
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: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -232.873639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.873639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.873639 (E_RNA)
where:
Base-Base interactions energy: -162.573
where: short stacking energy: -74.257
Base-Backbone interact. energy: -0.165
local terms energy: -70.135504
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -21.042
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: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -77.858055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.858055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.858055 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -32.275
Base-Backbone interact. energy: -0.026
local terms energy: -45.557104
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -247.364543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.364543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.364543 (E_RNA)
where:
Base-Base interactions energy: -174.792
where: short stacking energy: -76.088
Base-Backbone interact. energy: -0.250
local terms energy: -72.322093
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -238.726627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.726627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.726627 (E_RNA)
where:
Base-Base interactions energy: -162.596
where: short stacking energy: -73.019
Base-Backbone interact. energy: -0.587
local terms energy: -75.543191
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -238.115080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.115080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.115080 (E_RNA)
where:
Base-Base interactions energy: -162.581
where: short stacking energy: -74.318
Base-Backbone interact. energy: -0.002
local terms energy: -75.532799
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -21.096
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: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -235.376196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.376196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.376196 (E_RNA)
where:
Base-Base interactions energy: -159.646
where: short stacking energy: -72.614
Base-Backbone interact. energy: -0.202
local terms energy: -75.527450
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -232.939641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.939641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.939641 (E_RNA)
where:
Base-Base interactions energy: -160.476
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.044
local terms energy: -72.419434
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -226.455780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.455780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.455780 (E_RNA)
where:
Base-Base interactions energy: -155.965
where: short stacking energy: -69.455
Base-Backbone interact. energy: -0.671
local terms energy: -69.819290
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -224.679708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.679708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.679708 (E_RNA)
where:
Base-Base interactions energy: -153.428
where: short stacking energy: -71.961
Base-Backbone interact. energy: -0.124
local terms energy: -71.128395
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -230.944912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.944912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.944912 (E_RNA)
where:
Base-Base interactions energy: -155.735
where: short stacking energy: -70.753
Base-Backbone interact. energy: -0.001
local terms energy: -75.209048
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -212.514890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.514890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.514890 (E_RNA)
where:
Base-Base interactions energy: -145.822
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.005
local terms energy: -66.688027
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -72.432424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.432424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.432424 (E_RNA)
where:
Base-Base interactions energy: -25.136
where: short stacking energy: -25.136
Base-Backbone interact. energy: -0.134
local terms energy: -47.162197
where:
bonds (distance) C4'-P energy: -8.300
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -248.385432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.385432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.385432 (E_RNA)
where:
Base-Base interactions energy: -173.253
where: short stacking energy: -75.280
Base-Backbone interact. energy: -0.230
local terms energy: -74.902294
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -242.981951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.981951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.981951 (E_RNA)
where:
Base-Base interactions energy: -166.792
where: short stacking energy: -79.669
Base-Backbone interact. energy: -0.162
local terms energy: -76.027731
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -19.563
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: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -247.333973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.333973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.333973 (E_RNA)
where:
Base-Base interactions energy: -166.761
where: short stacking energy: -78.095
Base-Backbone interact. energy: -0.279
local terms energy: -80.293640
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -21.431
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: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -227.792689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.792689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.792689 (E_RNA)
where:
Base-Base interactions energy: -159.433
where: short stacking energy: -74.631
Base-Backbone interact. energy: -0.001
local terms energy: -68.359402
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -18.292
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: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -226.326007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.326007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.326007 (E_RNA)
where:
Base-Base interactions energy: -152.927
where: short stacking energy: -72.112
Base-Backbone interact. energy: -0.281
local terms energy: -73.118377
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -234.202943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.202943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.202943 (E_RNA)
where:
Base-Base interactions energy: -161.346
where: short stacking energy: -70.859
Base-Backbone interact. energy: 0.496
local terms energy: -73.352375
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -12.170
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: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -229.943406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.943406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.943406 (E_RNA)
where:
Base-Base interactions energy: -158.656
where: short stacking energy: -73.590
Base-Backbone interact. energy: -1.014
local terms energy: -70.273177
where:
bonds (distance) C4'-P energy: -6.338
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -19.712
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: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -211.907831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.907831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.907831 (E_RNA)
where:
Base-Base interactions energy: -148.871
where: short stacking energy: -57.428
Base-Backbone interact. energy: -0.773
local terms energy: -62.263826
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -216.194718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.194718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.194718 (E_RNA)
where:
Base-Base interactions energy: -155.193
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.054
local terms energy: -60.947794
where:
bonds (distance) C4'-P energy: -6.455
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -82.518946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.518946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.518946 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -25.026
Base-Backbone interact. energy: 0.133
local terms energy: -52.890683
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: 0.836
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: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -247.579576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.579576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.579576 (E_RNA)
where:
Base-Base interactions energy: -169.099
where: short stacking energy: -80.183
Base-Backbone interact. energy: -0.010
local terms energy: -78.471169
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -242.990122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.990122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.990122 (E_RNA)
where:
Base-Base interactions energy: -173.645
where: short stacking energy: -78.676
Base-Backbone interact. energy: -0.008
local terms energy: -69.337006
where:
bonds (distance) C4'-P energy: -6.980
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -20.538
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: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -237.857477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.857477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.857477 (E_RNA)
where:
Base-Base interactions energy: -163.004
where: short stacking energy: -73.146
Base-Backbone interact. energy: -0.191
local terms energy: -74.661974
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -230.469251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.469251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.469251 (E_RNA)
where:
Base-Base interactions energy: -158.834
where: short stacking energy: -73.500
Base-Backbone interact. energy: -0.000
local terms energy: -71.635292
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -10.523
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: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -227.941283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.941283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.941283 (E_RNA)
where:
Base-Base interactions energy: -154.169
where: short stacking energy: -70.572
Base-Backbone interact. energy: -0.012
local terms energy: -73.760019
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -227.476288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.476288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.476288 (E_RNA)
where:
Base-Base interactions energy: -157.813
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.064
local terms energy: -69.598538
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -17.665
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: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -225.952246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.952246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.952246 (E_RNA)
where:
Base-Base interactions energy: -156.880
where: short stacking energy: -73.756
Base-Backbone interact. energy: -0.166
local terms energy: -68.905967
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -18.714
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: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -215.541407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.541407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.541407 (E_RNA)
where:
Base-Base interactions energy: -147.307
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.311
local terms energy: -67.923751
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -11.510
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: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -217.898819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.898819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.898819 (E_RNA)
where:
Base-Base interactions energy: -152.953
where: short stacking energy: -65.822
Base-Backbone interact. energy: -0.338
local terms energy: -64.607627
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -15.172
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: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -79.397157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.397157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.397157 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -30.443
Base-Backbone interact. energy: -0.082
local terms energy: -45.762877
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -10.392
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -2.633
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: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -247.698561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.698561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.698561 (E_RNA)
where:
Base-Base interactions energy: -169.399
where: short stacking energy: -81.505
Base-Backbone interact. energy: -0.023
local terms energy: -78.277262
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -237.388773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.388773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.388773 (E_RNA)
where:
Base-Base interactions energy: -166.152
where: short stacking energy: -81.508
Base-Backbone interact. energy: -1.020
local terms energy: -70.216238
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -232.427071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.427071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.427071 (E_RNA)
where:
Base-Base interactions energy: -163.037
where: short stacking energy: -64.340
Base-Backbone interact. energy: -0.100
local terms energy: -69.289861
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.512
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: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -235.096851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.096851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.096851 (E_RNA)
where:
Base-Base interactions energy: -171.793
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.220
local terms energy: -63.083324
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -230.900382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.900382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.900382 (E_RNA)
where:
Base-Base interactions energy: -161.976
where: short stacking energy: -67.002
Base-Backbone interact. energy: -1.437
local terms energy: -67.487132
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -222.280435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.280435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.280435 (E_RNA)
where:
Base-Base interactions energy: -148.852
where: short stacking energy: -70.058
Base-Backbone interact. energy: -0.093
local terms energy: -73.335271
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -19.355
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: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -221.290210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.290210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.290210 (E_RNA)
where:
Base-Base interactions energy: -157.670
where: short stacking energy: -63.994
Base-Backbone interact. energy: -0.343
local terms energy: -63.276904
where:
bonds (distance) C4'-P energy: -7.530
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -210.401370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.401370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.401370 (E_RNA)
where:
Base-Base interactions energy: -149.116
where: short stacking energy: -56.882
Base-Backbone interact. energy: -0.413
local terms energy: -60.872456
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -213.962815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.962815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.962815 (E_RNA)
where:
Base-Base interactions energy: -159.066
where: short stacking energy: -68.153
Base-Backbone interact. energy: -0.121
local terms energy: -54.775939
where:
bonds (distance) C4'-P energy: -7.095
bonds (distance) P-C4' energy: -6.595
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -82.686236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.686236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.686236 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -30.067
Base-Backbone interact. energy: -0.079
local terms energy: -52.540890
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -7.891
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: 1, replica: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -251.640065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.640065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.640065 (E_RNA)
where:
Base-Base interactions energy: -176.562
where: short stacking energy: -74.466
Base-Backbone interact. energy: -0.373
local terms energy: -74.704835
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -20.426
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: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -238.591983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.591983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.591983 (E_RNA)
where:
Base-Base interactions energy: -160.754
where: short stacking energy: -74.967
Base-Backbone interact. energy: -0.064
local terms energy: -77.774206
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -234.273613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.273613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.273613 (E_RNA)
where:
Base-Base interactions energy: -165.149
where: short stacking energy: -75.215
Base-Backbone interact. energy: -0.061
local terms energy: -69.063819
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -233.528707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.528707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.528707 (E_RNA)
where:
Base-Base interactions energy: -163.002
where: short stacking energy: -70.400
Base-Backbone interact. energy: -0.019
local terms energy: -70.507368
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -20.670
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: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -236.264009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.264009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.264009 (E_RNA)
where:
Base-Base interactions energy: -156.476
where: short stacking energy: -73.347
Base-Backbone interact. energy: -0.001
local terms energy: -79.787687
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -227.976906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.976906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.976906 (E_RNA)
where:
Base-Base interactions energy: -152.726
where: short stacking energy: -68.046
Base-Backbone interact. energy: -0.012
local terms energy: -75.239326
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -19.174
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: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -215.079417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.079417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.079417 (E_RNA)
where:
Base-Base interactions energy: -154.823
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.301
local terms energy: -59.955809
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.011
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: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -216.939992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.939992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.939992 (E_RNA)
where:
Base-Base interactions energy: -153.959
where: short stacking energy: -72.616
Base-Backbone interact. energy: -0.532
local terms energy: -62.449304
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: -19.657
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: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -209.894738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.894738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.894738 (E_RNA)
where:
Base-Base interactions energy: -146.407
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.081
local terms energy: -63.406729
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -16.207
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: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -79.567121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.567121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.567121 (E_RNA)
where:
Base-Base interactions energy: -32.684
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.014
local terms energy: -46.869176
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -0.643
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: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -251.743703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.743703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.743703 (E_RNA)
where:
Base-Base interactions energy: -172.435
where: short stacking energy: -80.524
Base-Backbone interact. energy: -0.001
local terms energy: -79.307437
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -245.238917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.238917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.238917 (E_RNA)
where:
Base-Base interactions energy: -169.847
where: short stacking energy: -82.210
Base-Backbone interact. energy: -0.001
local terms energy: -75.390500
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -22.979
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: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -236.309193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.309193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.309193 (E_RNA)
where:
Base-Base interactions energy: -159.330
where: short stacking energy: -72.844
Base-Backbone interact. energy: -0.833
local terms energy: -76.146549
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -227.695070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.695070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.695070 (E_RNA)
where:
Base-Base interactions energy: -155.064
where: short stacking energy: -66.904
Base-Backbone interact. energy: -0.110
local terms energy: -72.521578
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -12.569
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: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -223.865108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.865108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.865108 (E_RNA)
where:
Base-Base interactions energy: -154.287
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.000
local terms energy: -69.577829
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -235.189098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.189098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.189098 (E_RNA)
where:
Base-Base interactions energy: -164.004
where: short stacking energy: -78.599
Base-Backbone interact. energy: 0.695
local terms energy: -71.880044
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -223.735375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.735375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.735375 (E_RNA)
where:
Base-Base interactions energy: -163.212
where: short stacking energy: -64.797
Base-Backbone interact. energy: 0.230
local terms energy: -60.753496
where:
bonds (distance) C4'-P energy: -8.093
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -220.045778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.045778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.045778 (E_RNA)
where:
Base-Base interactions energy: -149.894
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.026
local terms energy: -70.125572
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -9.260
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: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -198.716363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.716363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.716363 (E_RNA)
where:
Base-Base interactions energy: -144.195
where: short stacking energy: -65.187
Base-Backbone interact. energy: 0.201
local terms energy: -54.722255
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -5.374
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: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -116.860521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.860521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.860521 (E_RNA)
where:
Base-Base interactions energy: -75.886
where: short stacking energy: -39.522
Base-Backbone interact. energy: -0.149
local terms energy: -40.825382
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -7.792
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: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -246.356038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.356038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.356038 (E_RNA)
where:
Base-Base interactions energy: -166.525
where: short stacking energy: -74.247
Base-Backbone interact. energy: -0.000
local terms energy: -79.830729
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -21.568
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: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -243.588404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.588404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.588404 (E_RNA)
where:
Base-Base interactions energy: -168.018
where: short stacking energy: -77.741
Base-Backbone interact. energy: -0.058
local terms energy: -75.512415
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -228.658289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.658289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.658289 (E_RNA)
where:
Base-Base interactions energy: -166.036
where: short stacking energy: -67.245
Base-Backbone interact. energy: -0.199
local terms energy: -62.423334
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -1.261
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -227.423245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.423245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.423245 (E_RNA)
where:
Base-Base interactions energy: -160.592
where: short stacking energy: -75.343
Base-Backbone interact. energy: -0.002
local terms energy: -66.828939
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -20.488
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: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -226.424819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.424819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.424819 (E_RNA)
where:
Base-Base interactions energy: -158.330
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.093
local terms energy: -68.002322
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -9.625
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: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -227.437650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.437650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.437650 (E_RNA)
where:
Base-Base interactions energy: -156.385
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.266
local terms energy: -70.786309
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -15.825
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: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -215.072362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.072362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.072362 (E_RNA)
where:
Base-Base interactions energy: -147.847
where: short stacking energy: -68.570
Base-Backbone interact. energy: -0.169
local terms energy: -67.056506
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -18.502
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: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -216.467587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.467587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.467587 (E_RNA)
where:
Base-Base interactions energy: -147.782
where: short stacking energy: -63.654
Base-Backbone interact. energy: -0.610
local terms energy: -68.075109
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -219.828588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.828588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.828588 (E_RNA)
where:
Base-Base interactions energy: -151.144
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.001
local terms energy: -68.683830
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -9.541
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: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -75.141965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.141965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.141965 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -29.774
Base-Backbone interact. energy: 0.132
local terms energy: -43.600425
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -9.794
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -245.263159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.263159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.263159 (E_RNA)
where:
Base-Base interactions energy: -167.671
where: short stacking energy: -80.368
Base-Backbone interact. energy: -0.492
local terms energy: -77.100490
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -22.085
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: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -240.041805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.041805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.041805 (E_RNA)
where:
Base-Base interactions energy: -162.103
where: short stacking energy: -71.568
Base-Backbone interact. energy: -0.020
local terms energy: -77.918972
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -18.976
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: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -241.938940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.938940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.938940 (E_RNA)
where:
Base-Base interactions energy: -162.108
where: short stacking energy: -75.609
Base-Backbone interact. energy: -0.414
local terms energy: -79.416650
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -22.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -243.389161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.389161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.389161 (E_RNA)
where:
Base-Base interactions energy: -163.051
where: short stacking energy: -76.085
Base-Backbone interact. energy: -2.788
local terms energy: -77.550325
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -234.598086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.598086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.598086 (E_RNA)
where:
Base-Base interactions energy: -168.684
where: short stacking energy: -73.471
Base-Backbone interact. energy: -0.797
local terms energy: -65.117455
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -10.986
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: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -233.052090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.052090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.052090 (E_RNA)
where:
Base-Base interactions energy: -166.417
where: short stacking energy: -67.462
Base-Backbone interact. energy: -0.004
local terms energy: -66.630397
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.642
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: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -225.293068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.293068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.293068 (E_RNA)
where:
Base-Base interactions energy: -156.080
where: short stacking energy: -68.899
Base-Backbone interact. energy: -0.020
local terms energy: -69.193391
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -219.962450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.962450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.962450 (E_RNA)
where:
Base-Base interactions energy: -163.199
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.036
local terms energy: -56.727259
where:
bonds (distance) C4'-P energy: -8.287
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -10.822
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: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -204.168697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.168697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.168697 (E_RNA)
where:
Base-Base interactions energy: -143.996
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.059
local terms energy: -60.114355
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -76.650724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.650724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.650724 (E_RNA)
where:
Base-Base interactions energy: -35.191
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.044
local terms energy: -41.415616
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -12.234
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: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -242.793032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.793032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.793032 (E_RNA)
where:
Base-Base interactions energy: -171.877
where: short stacking energy: -78.057
Base-Backbone interact. energy: -1.280
local terms energy: -69.635420
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -240.178443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.178443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.178443 (E_RNA)
where:
Base-Base interactions energy: -168.706
where: short stacking energy: -69.571
Base-Backbone interact. energy: -0.105
local terms energy: -71.367819
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -19.256
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: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -234.261068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.261068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.261068 (E_RNA)
where:
Base-Base interactions energy: -164.727
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.104
local terms energy: -69.429470
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -11.078
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: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -231.361137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.361137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.361137 (E_RNA)
where:
Base-Base interactions energy: -154.652
where: short stacking energy: -64.612
Base-Backbone interact. energy: -1.401
local terms energy: -75.307999
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -10.493
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: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -241.232423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.232423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.232423 (E_RNA)
where:
Base-Base interactions energy: -160.297
where: short stacking energy: -71.187
Base-Backbone interact. energy: -1.008
local terms energy: -79.927002
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -22.322
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: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -227.514649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.514649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.514649 (E_RNA)
where:
Base-Base interactions energy: -157.483
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.111
local terms energy: -69.920144
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -17.084
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: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -216.179249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.179249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.179249 (E_RNA)
where:
Base-Base interactions energy: -155.747
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.120
local terms energy: -60.311745
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -10.177
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: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -223.277790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.277790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.277790 (E_RNA)
where:
Base-Base interactions energy: -158.780
where: short stacking energy: -65.984
Base-Backbone interact. energy: -0.023
local terms energy: -64.474970
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -18.419
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: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -200.426535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.426535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.426535 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -56.803
Base-Backbone interact. energy: 0.713
local terms energy: -66.672015
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -10.400
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: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -106.686640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.686640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.686640 (E_RNA)
where:
Base-Base interactions energy: -68.406
where: short stacking energy: -38.309
Base-Backbone interact. energy: 3.924
local terms energy: -42.204114
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -1.300
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: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -240.248434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.248434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.248434 (E_RNA)
where:
Base-Base interactions energy: -164.036
where: short stacking energy: -72.103
Base-Backbone interact. energy: -0.026
local terms energy: -76.186368
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -243.661007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.661007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.661007 (E_RNA)
where:
Base-Base interactions energy: -165.882
where: short stacking energy: -79.125
Base-Backbone interact. energy: -0.032
local terms energy: -77.747237
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -238.333406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.333406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.333406 (E_RNA)
where:
Base-Base interactions energy: -172.430
where: short stacking energy: -69.061
Base-Backbone interact. energy: -1.075
local terms energy: -64.828151
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -9.105
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: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -231.886733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.886733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.886733 (E_RNA)
where:
Base-Base interactions energy: -157.539
where: short stacking energy: -70.735
Base-Backbone interact. energy: -0.037
local terms energy: -74.310581
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -220.853306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.853306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.853306 (E_RNA)
where:
Base-Base interactions energy: -152.702
where: short stacking energy: -67.469
Base-Backbone interact. energy: -0.007
local terms energy: -68.144368
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -8.902
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: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -226.748001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.748001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.748001 (E_RNA)
where:
Base-Base interactions energy: -155.223
where: short stacking energy: -77.708
Base-Backbone interact. energy: -0.669
local terms energy: -70.856091
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -21.353
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: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -216.190928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.190928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.190928 (E_RNA)
where:
Base-Base interactions energy: -150.931
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.631
local terms energy: -64.629094
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -216.643502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.643502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.643502 (E_RNA)
where:
Base-Base interactions energy: -152.855
where: short stacking energy: -71.234
Base-Backbone interact. energy: -0.088
local terms energy: -63.700006
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -18.325
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: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -219.817921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.817921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.817921 (E_RNA)
where:
Base-Base interactions energy: -148.854
where: short stacking energy: -62.060
Base-Backbone interact. energy: -0.673
local terms energy: -70.290813
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -15.202
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: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -77.265159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.265159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.265159 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -23.904
Base-Backbone interact. energy: -0.110
local terms energy: -48.511444
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -1.836
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: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -241.728585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.728585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.728585 (E_RNA)
where:
Base-Base interactions energy: -166.142
where: short stacking energy: -73.164
Base-Backbone interact. energy: -0.002
local terms energy: -75.584184
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -236.820831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.820831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.820831 (E_RNA)
where:
Base-Base interactions energy: -165.782
where: short stacking energy: -68.614
Base-Backbone interact. energy: -1.664
local terms energy: -69.374418
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -233.657411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.657411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.657411 (E_RNA)
where:
Base-Base interactions energy: -166.804
where: short stacking energy: -70.848
Base-Backbone interact. energy: -0.049
local terms energy: -66.804902
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -16.368
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: 333
Temperature: 1.050000
Total energy: -232.624957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.624957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.624957 (E_RNA)
where:
Base-Base interactions energy: -169.773
where: short stacking energy: -69.478
Base-Backbone interact. energy: -0.272
local terms energy: -62.579893
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -14.374
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: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -218.768331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.768331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.768331 (E_RNA)
where:
Base-Base interactions energy: -156.104
where: short stacking energy: -66.474
Base-Backbone interact. energy: -0.004
local terms energy: -62.660476
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -17.490
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: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -224.553721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.553721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.553721 (E_RNA)
where:
Base-Base interactions energy: -162.385
where: short stacking energy: -65.667
Base-Backbone interact. energy: 0.455
local terms energy: -62.623202
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.621
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: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -225.257130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.257130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.257130 (E_RNA)
where:
Base-Base interactions energy: -148.472
where: short stacking energy: -67.862
Base-Backbone interact. energy: -0.094
local terms energy: -76.691987
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -221.084097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.084097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.084097 (E_RNA)
where:
Base-Base interactions energy: -154.829
where: short stacking energy: -72.963
Base-Backbone interact. energy: -0.065
local terms energy: -66.190225
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -220.829754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.829754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.829754 (E_RNA)
where:
Base-Base interactions energy: -143.052
where: short stacking energy: -64.154
Base-Backbone interact. energy: -0.820
local terms energy: -76.956824
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -68.203397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.203397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.203397 (E_RNA)
where:
Base-Base interactions energy: -31.079
where: short stacking energy: -31.079
Base-Backbone interact. energy: -0.139
local terms energy: -36.985724
where:
bonds (distance) C4'-P energy: -7.654
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: 0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -250.642703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.642703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.642703 (E_RNA)
where:
Base-Base interactions energy: -169.523
where: short stacking energy: -80.001
Base-Backbone interact. energy: -1.444
local terms energy: -79.675925
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -241.058588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.058588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.058588 (E_RNA)
where:
Base-Base interactions energy: -166.386
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.528
local terms energy: -74.144750
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -237.510188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.510188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.510188 (E_RNA)
where:
Base-Base interactions energy: -164.961
where: short stacking energy: -76.852
Base-Backbone interact. energy: -0.003
local terms energy: -72.546563
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -19.992
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: 334
Temperature: 1.050000
Total energy: -220.103960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.103960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.103960 (E_RNA)
where:
Base-Base interactions energy: -158.680
where: short stacking energy: -67.742
Base-Backbone interact. energy: -0.613
local terms energy: -60.810966
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -11.981
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: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -213.682099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.682099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.682099 (E_RNA)
where:
Base-Base interactions energy: -140.787
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.029
local terms energy: -72.865567
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.926
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: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -212.927819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.927819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.927819 (E_RNA)
where:
Base-Base interactions energy: -145.593
where: short stacking energy: -57.134
Base-Backbone interact. energy: -0.025
local terms energy: -67.309308
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -213.528470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.528470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.528470 (E_RNA)
where:
Base-Base interactions energy: -150.827
where: short stacking energy: -62.236
Base-Backbone interact. energy: 0.910
local terms energy: -63.611089
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -207.712762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.712762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.712762 (E_RNA)
where:
Base-Base interactions energy: -138.433
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.190
local terms energy: -69.089807
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -14.448
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: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -200.747995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.747995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.747995 (E_RNA)
where:
Base-Base interactions energy: -141.143
where: short stacking energy: -57.303
Base-Backbone interact. energy: -1.269
local terms energy: -58.336314
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -13.295
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: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -94.251547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.251547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.251547 (E_RNA)
where:
Base-Base interactions energy: -51.280
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.093
local terms energy: -42.878621
where:
bonds (distance) C4'-P energy: -7.740
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -5.397
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: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -245.664355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.664355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.664355 (E_RNA)
where:
Base-Base interactions energy: -165.377
where: short stacking energy: -76.455
Base-Backbone interact. energy: -0.615
local terms energy: -79.672083
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -247.908231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.908231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.908231 (E_RNA)
where:
Base-Base interactions energy: -166.604
where: short stacking energy: -76.282
Base-Backbone interact. energy: -0.708
local terms energy: -80.596172
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -22.514
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: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -240.209639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.209639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.209639 (E_RNA)
where:
Base-Base interactions energy: -168.610
where: short stacking energy: -77.596
Base-Backbone interact. energy: -0.002
local terms energy: -71.597583
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -18.456
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: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -227.753632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.753632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.753632 (E_RNA)
where:
Base-Base interactions energy: -162.893
where: short stacking energy: -70.498
Base-Backbone interact. energy: -0.000
local terms energy: -64.860684
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -224.453131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.453131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.453131 (E_RNA)
where:
Base-Base interactions energy: -151.549
where: short stacking energy: -68.918
Base-Backbone interact. energy: -0.116
local terms energy: -72.788333
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -15.711
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: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -214.128107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.128107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.128107 (E_RNA)
where:
Base-Base interactions energy: -146.414
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.105
local terms energy: -67.609136
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -217.159314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.159314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.159314 (E_RNA)
where:
Base-Base interactions energy: -148.510
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.077
local terms energy: -68.571563
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -11.280
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: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -215.079554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.079554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.079554 (E_RNA)
where:
Base-Base interactions energy: -148.179
where: short stacking energy: -75.160
Base-Backbone interact. energy: -0.045
local terms energy: -66.855490
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -9.422
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -20.136
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: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -219.733496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.733496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.733496 (E_RNA)
where:
Base-Base interactions energy: -154.969
where: short stacking energy: -60.905
Base-Backbone interact. energy: -0.022
local terms energy: -64.742544
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -11.254
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: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -86.274551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.274551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.274551 (E_RNA)
where:
Base-Base interactions energy: -46.789
where: short stacking energy: -19.677
Base-Backbone interact. energy: -0.425
local terms energy: -39.060913
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -4.811
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: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -248.046755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.046755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.046755 (E_RNA)
where:
Base-Base interactions energy: -169.975
where: short stacking energy: -78.597
Base-Backbone interact. energy: -0.971
local terms energy: -77.100580
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -20.492
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: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -245.003880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.003880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.003880 (E_RNA)
where:
Base-Base interactions energy: -166.873
where: short stacking energy: -76.027
Base-Backbone interact. energy: -0.001
local terms energy: -78.129578
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -240.591095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.591095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.591095 (E_RNA)
where:
Base-Base interactions energy: -163.804
where: short stacking energy: -73.011
Base-Backbone interact. energy: -0.045
local terms energy: -76.742858
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -234.943015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.943015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.943015 (E_RNA)
where:
Base-Base interactions energy: -162.236
where: short stacking energy: -63.894
Base-Backbone interact. energy: -0.402
local terms energy: -72.304475
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -240.883023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.883023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.883023 (E_RNA)
where:
Base-Base interactions energy: -172.082
where: short stacking energy: -71.464
Base-Backbone interact. energy: -0.623
local terms energy: -68.178846
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -17.906
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: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -219.258885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.258885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.258885 (E_RNA)
where:
Base-Base interactions energy: -151.108
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.007
local terms energy: -68.143572
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -11.933
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: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -220.108269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.108269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.108269 (E_RNA)
where:
Base-Base interactions energy: -159.441
where: short stacking energy: -66.534
Base-Backbone interact. energy: -0.107
local terms energy: -60.560372
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -11.963
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: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -220.996639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.996639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.996639 (E_RNA)
where:
Base-Base interactions energy: -148.507
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.111
local terms energy: -72.379061
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -10.019
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: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -206.411194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.411194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.411194 (E_RNA)
where:
Base-Base interactions energy: -138.996
where: short stacking energy: -56.877
Base-Backbone interact. energy: -0.034
local terms energy: -67.381830
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -80.194758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.194758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.194758 (E_RNA)
where:
Base-Base interactions energy: -23.480
where: short stacking energy: -19.173
Base-Backbone interact. energy: -0.864
local terms energy: -55.850087
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -245.823556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.823556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.823556 (E_RNA)
where:
Base-Base interactions energy: -172.057
where: short stacking energy: -80.739
Base-Backbone interact. energy: -0.878
local terms energy: -72.888849
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -21.726
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: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -239.222061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.222061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.222061 (E_RNA)
where:
Base-Base interactions energy: -164.665
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.027
local terms energy: -74.529871
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -234.687707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.687707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.687707 (E_RNA)
where:
Base-Base interactions energy: -163.535
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.406
local terms energy: -70.746927
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -228.139761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.139761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.139761 (E_RNA)
where:
Base-Base interactions energy: -159.644
where: short stacking energy: -74.697
Base-Backbone interact. energy: -0.000
local terms energy: -68.495560
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -224.352126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.352126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.352126 (E_RNA)
where:
Base-Base interactions energy: -155.310
where: short stacking energy: -69.165
Base-Backbone interact. energy: -0.532
local terms energy: -68.509209
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -18.680
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: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -226.439800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.439800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.439800 (E_RNA)
where:
Base-Base interactions energy: -157.971
where: short stacking energy: -70.956
Base-Backbone interact. energy: -0.359
local terms energy: -68.109986
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -212.666439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.666439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.666439 (E_RNA)
where:
Base-Base interactions energy: -148.898
where: short stacking energy: -61.414
Base-Backbone interact. energy: -0.267
local terms energy: -63.501595
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -14.666
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: 337
Temperature: 1.250000
Total energy: -191.072732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.072732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.072732 (E_RNA)
where:
Base-Base interactions energy: -133.202
where: short stacking energy: -45.977
Base-Backbone interact. energy: -0.204
local terms energy: -57.666900
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -4.443
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: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -206.684850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.684850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.684850 (E_RNA)
where:
Base-Base interactions energy: -148.486
where: short stacking energy: -68.497
Base-Backbone interact. energy: -0.000
local terms energy: -58.198706
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -1.245
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: 10, replica: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -70.323632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.323632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.323632 (E_RNA)
where:
Base-Base interactions energy: -20.995
where: short stacking energy: -17.831
Base-Backbone interact. energy: -0.916
local terms energy: -48.412815
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: 4.174
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: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -241.323105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.323105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.323105 (E_RNA)
where:
Base-Base interactions energy: -167.933
where: short stacking energy: -73.915
Base-Backbone interact. energy: -0.072
local terms energy: -73.318279
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -242.713186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.713186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.713186 (E_RNA)
where:
Base-Base interactions energy: -167.666
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.708
local terms energy: -74.339321
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -239.806870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.806870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.806870 (E_RNA)
where:
Base-Base interactions energy: -163.429
where: short stacking energy: -77.393
Base-Backbone interact. energy: -0.635
local terms energy: -75.743457
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -241.890613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.890613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.890613 (E_RNA)
where:
Base-Base interactions energy: -168.219
where: short stacking energy: -69.276
Base-Backbone interact. energy: -0.083
local terms energy: -73.587852
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -220.610443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.610443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.610443 (E_RNA)
where:
Base-Base interactions energy: -153.869
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.432
local terms energy: -66.309897
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -222.196018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.196018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.196018 (E_RNA)
where:
Base-Base interactions energy: -151.216
where: short stacking energy: -70.312
Base-Backbone interact. energy: -0.076
local terms energy: -70.904060
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -21.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -224.124834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.124834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.124834 (E_RNA)
where:
Base-Base interactions energy: -152.942
where: short stacking energy: -68.530
Base-Backbone interact. energy: -0.184
local terms energy: -70.998452
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -18.212
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: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -191.068160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.068160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.068160 (E_RNA)
where:
Base-Base interactions energy: -140.228
where: short stacking energy: -46.455
Base-Backbone interact. energy: -0.758
local terms energy: -50.081392
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -216.391075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.391075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.391075 (E_RNA)
where:
Base-Base interactions energy: -151.687
where: short stacking energy: -64.899
Base-Backbone interact. energy: -1.217
local terms energy: -63.487210
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -11.640
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: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -83.339744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.339744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.339744 (E_RNA)
where:
Base-Base interactions energy: -39.366
where: short stacking energy: -32.290
Base-Backbone interact. energy: -0.079
local terms energy: -43.894709
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -2.802
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: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -240.312571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.312571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.312571 (E_RNA)
where:
Base-Base interactions energy: -165.664
where: short stacking energy: -74.396
Base-Backbone interact. energy: -0.595
local terms energy: -74.053611
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -238.885837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.885837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.885837 (E_RNA)
where:
Base-Base interactions energy: -164.373
where: short stacking energy: -74.989
Base-Backbone interact. energy: -0.000
local terms energy: -74.513056
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -241.075925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.075925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.075925 (E_RNA)
where:
Base-Base interactions energy: -175.397
where: short stacking energy: -71.688
Base-Backbone interact. energy: -0.503
local terms energy: -65.176783
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -21.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -230.716041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.716041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.716041 (E_RNA)
where:
Base-Base interactions energy: -156.809
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.055
local terms energy: -73.852106
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -231.053380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.053380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.053380 (E_RNA)
where:
Base-Base interactions energy: -164.676
where: short stacking energy: -70.541
Base-Backbone interact. energy: -0.289
local terms energy: -66.087852
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -17.545
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: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -222.919172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.919172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.919172 (E_RNA)
where:
Base-Base interactions energy: -151.390
where: short stacking energy: -66.044
Base-Backbone interact. energy: -0.283
local terms energy: -71.245294
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -219.688338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.688338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.688338 (E_RNA)
where:
Base-Base interactions energy: -151.965
where: short stacking energy: -66.185
Base-Backbone interact. energy: -0.002
local terms energy: -67.722185
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -19.313
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: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -212.958641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.958641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.958641 (E_RNA)
where:
Base-Base interactions energy: -150.558
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.063
local terms energy: -62.337745
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -6.878
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -12.837
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: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -197.843407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.843407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.843407 (E_RNA)
where:
Base-Base interactions energy: -137.951
where: short stacking energy: -52.794
Base-Backbone interact. energy: -0.058
local terms energy: -59.834427
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -7.754
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: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -77.132577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.132577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.132577 (E_RNA)
where:
Base-Base interactions energy: -28.487
where: short stacking energy: -28.487
Base-Backbone interact. energy: 3.503
local terms energy: -52.148043
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -245.235434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.235434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.235434 (E_RNA)
where:
Base-Base interactions energy: -170.066
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.143
local terms energy: -75.026252
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -17.380
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: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -243.946580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.946580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.946580 (E_RNA)
where:
Base-Base interactions energy: -165.350
where: short stacking energy: -79.814
Base-Backbone interact. energy: 0.444
local terms energy: -79.041399
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -240.809697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.809697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.809697 (E_RNA)
where:
Base-Base interactions energy: -170.903
where: short stacking energy: -70.331
Base-Backbone interact. energy: 0.109
local terms energy: -70.015392
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -233.981756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.981756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.981756 (E_RNA)
where:
Base-Base interactions energy: -159.305
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.632
local terms energy: -74.044856
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -229.225680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.225680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.225680 (E_RNA)
where:
Base-Base interactions energy: -158.412
where: short stacking energy: -72.830
Base-Backbone interact. energy: -0.383
local terms energy: -70.430862
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -18.431
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: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -238.153128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.153128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.153128 (E_RNA)
where:
Base-Base interactions energy: -165.053
where: short stacking energy: -73.318
Base-Backbone interact. energy: -0.701
local terms energy: -72.399373
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -222.155552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.155552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.155552 (E_RNA)
where:
Base-Base interactions energy: -153.034
where: short stacking energy: -68.401
Base-Backbone interact. energy: -0.426
local terms energy: -68.695858
where:
bonds (distance) C4'-P energy: -7.982
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -221.100383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.100383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.100383 (E_RNA)
where:
Base-Base interactions energy: -158.785
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.024
local terms energy: -62.291423
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -8.508
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -17.077
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: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -227.298548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.298548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.298548 (E_RNA)
where:
Base-Base interactions energy: -158.421
where: short stacking energy: -71.112
Base-Backbone interact. energy: -0.322
local terms energy: -68.554859
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -75.627888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.627888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.627888 (E_RNA)
where:
Base-Base interactions energy: -28.573
where: short stacking energy: -21.887
Base-Backbone interact. energy: 4.365
local terms energy: -51.419656
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -245.517729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.517729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.517729 (E_RNA)
where:
Base-Base interactions energy: -164.871
where: short stacking energy: -81.036
Base-Backbone interact. energy: -0.025
local terms energy: -80.622032
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -22.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -238.874112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.874112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.874112 (E_RNA)
where:
Base-Base interactions energy: -162.814
where: short stacking energy: -69.028
Base-Backbone interact. energy: -0.479
local terms energy: -75.581142
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -237.404790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.404790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.404790 (E_RNA)
where:
Base-Base interactions energy: -165.431
where: short stacking energy: -73.585
Base-Backbone interact. energy: -0.671
local terms energy: -71.302354
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -19.626
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: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -232.228322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.228322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.228322 (E_RNA)
where:
Base-Base interactions energy: -163.577
where: short stacking energy: -74.458
Base-Backbone interact. energy: -0.292
local terms energy: -68.358841
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -226.725719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.725719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.725719 (E_RNA)
where:
Base-Base interactions energy: -162.416
where: short stacking energy: -65.526
Base-Backbone interact. energy: -0.013
local terms energy: -64.296701
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -16.431
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: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -233.353203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.353203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.353203 (E_RNA)
where:
Base-Base interactions energy: -163.582
where: short stacking energy: -75.384
Base-Backbone interact. energy: -0.878
local terms energy: -68.893673
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -213.234427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.234427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.234427 (E_RNA)
where:
Base-Base interactions energy: -151.730
where: short stacking energy: -62.176
Base-Backbone interact. energy: -0.342
local terms energy: -61.162529
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -217.554869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.554869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.554869 (E_RNA)
where:
Base-Base interactions energy: -153.354
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.042
local terms energy: -64.158769
where:
bonds (distance) C4'-P energy: -5.033
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -18.202
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: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -214.094887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.094887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.094887 (E_RNA)
where:
Base-Base interactions energy: -152.838
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.424
local terms energy: -60.832536
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -20.014
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: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -67.680292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.680292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.680292 (E_RNA)
where:
Base-Base interactions energy: -20.079
where: short stacking energy: -20.079
Base-Backbone interact. energy: -0.684
local terms energy: -46.917617
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -6.282
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: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -242.279575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.279575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.279575 (E_RNA)
where:
Base-Base interactions energy: -173.515
where: short stacking energy: -72.371
Base-Backbone interact. energy: -0.110
local terms energy: -68.654253
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.702
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: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -245.016279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.016279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.016279 (E_RNA)
where:
Base-Base interactions energy: -172.325
where: short stacking energy: -77.138
Base-Backbone interact. energy: -1.432
local terms energy: -71.260044
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -243.061073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.061073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.061073 (E_RNA)
where:
Base-Base interactions energy: -169.806
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.437
local terms energy: -72.818582
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -230.034352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.034352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.034352 (E_RNA)
where:
Base-Base interactions energy: -153.920
where: short stacking energy: -72.464
Base-Backbone interact. energy: -0.012
local terms energy: -76.101654
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -235.915635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.915635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.915635 (E_RNA)
where:
Base-Base interactions energy: -158.912
where: short stacking energy: -74.133
Base-Backbone interact. energy: -0.141
local terms energy: -76.862562
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -226.517958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.517958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.517958 (E_RNA)
where:
Base-Base interactions energy: -158.106
where: short stacking energy: -71.984
Base-Backbone interact. energy: -0.319
local terms energy: -68.093327
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -221.220203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.220203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.220203 (E_RNA)
where:
Base-Base interactions energy: -154.957
where: short stacking energy: -67.886
Base-Backbone interact. energy: -1.216
local terms energy: -65.047140
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -227.710731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.710731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.710731 (E_RNA)
where:
Base-Base interactions energy: -157.648
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.103
local terms energy: -69.960649
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -205.463550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.463550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.463550 (E_RNA)
where:
Base-Base interactions energy: -151.592
where: short stacking energy: -64.421
Base-Backbone interact. energy: -0.095
local terms energy: -53.776310
where:
bonds (distance) C4'-P energy: -6.938
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -13.729
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: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -77.964308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.964308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.964308 (E_RNA)
where:
Base-Base interactions energy: -35.206
where: short stacking energy: -34.929
Base-Backbone interact. energy: 0.502
local terms energy: -43.259680
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -245.481610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.481610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.481610 (E_RNA)
where:
Base-Base interactions energy: -169.219
where: short stacking energy: -70.773
Base-Backbone interact. energy: -0.481
local terms energy: -75.781982
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -18.686
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: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -243.952001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.952001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.952001 (E_RNA)
where:
Base-Base interactions energy: -165.762
where: short stacking energy: -75.358
Base-Backbone interact. energy: -0.005
local terms energy: -78.185259
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -246.988206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.988206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.988206 (E_RNA)
where:
Base-Base interactions energy: -168.567
where: short stacking energy: -75.558
Base-Backbone interact. energy: -0.164
local terms energy: -78.257579
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -228.070368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.070368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.070368 (E_RNA)
where:
Base-Base interactions energy: -157.781
where: short stacking energy: -67.874
Base-Backbone interact. energy: -0.063
local terms energy: -70.225965
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -17.209
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: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -227.541078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.541078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.541078 (E_RNA)
where:
Base-Base interactions energy: -160.876
where: short stacking energy: -70.007
Base-Backbone interact. energy: -0.001
local terms energy: -66.664749
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.881
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: 6, replica: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -224.030555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.030555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.030555 (E_RNA)
where:
Base-Base interactions energy: -149.836
where: short stacking energy: -67.233
Base-Backbone interact. energy: -0.159
local terms energy: -74.035446
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -220.569850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.569850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.569850 (E_RNA)
where:
Base-Base interactions energy: -156.725
where: short stacking energy: -72.866
Base-Backbone interact. energy: -0.026
local terms energy: -63.818852
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -219.176577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.176577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.176577 (E_RNA)
where:
Base-Base interactions energy: -156.527
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.019
local terms energy: -62.630017
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.483
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: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -208.485280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.485280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.485280 (E_RNA)
where:
Base-Base interactions energy: -148.947
where: short stacking energy: -58.490
Base-Backbone interact. energy: -0.002
local terms energy: -59.536674
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -11.020
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: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -78.897424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.897424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.897424 (E_RNA)
where:
Base-Base interactions energy: -27.427
where: short stacking energy: -24.157
Base-Backbone interact. energy: 0.818
local terms energy: -52.288724
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -246.973249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.973249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.973249 (E_RNA)
where:
Base-Base interactions energy: -169.681
where: short stacking energy: -69.113
Base-Backbone interact. energy: -0.083
local terms energy: -77.209400
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -233.441452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.441452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.441452 (E_RNA)
where:
Base-Base interactions energy: -160.982
where: short stacking energy: -71.694
Base-Backbone interact. energy: 0.932
local terms energy: -73.391579
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -236.417487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.417487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.417487 (E_RNA)
where:
Base-Base interactions energy: -162.094
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.140
local terms energy: -74.183364
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -19.892
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: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -233.173665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.173665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.173665 (E_RNA)
where:
Base-Base interactions energy: -157.529
where: short stacking energy: -73.124
Base-Backbone interact. energy: -0.041
local terms energy: -75.603838
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -19.795
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: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -224.140904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.140904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.140904 (E_RNA)
where:
Base-Base interactions energy: -151.264
where: short stacking energy: -63.173
Base-Backbone interact. energy: -0.101
local terms energy: -72.775173
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.599
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: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -230.439648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.439648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.439648 (E_RNA)
where:
Base-Base interactions energy: -161.070
where: short stacking energy: -67.159
Base-Backbone interact. energy: -0.244
local terms energy: -69.125571
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -228.693809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.693809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.693809 (E_RNA)
where:
Base-Base interactions energy: -165.242
where: short stacking energy: -72.437
Base-Backbone interact. energy: -0.007
local terms energy: -63.444648
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -221.183908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.183908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.183908 (E_RNA)
where:
Base-Base interactions energy: -152.909
where: short stacking energy: -71.674
Base-Backbone interact. energy: -0.004
local terms energy: -68.270106
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -208.910810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.910810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.910810 (E_RNA)
where:
Base-Base interactions energy: -143.590
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.050
local terms energy: -65.271404
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -7.686
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: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -82.605635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.605635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.605635 (E_RNA)
where:
Base-Base interactions energy: -41.615
where: short stacking energy: -19.490
Base-Backbone interact. energy: -1.246
local terms energy: -39.745297
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: 4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -249.160123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.160123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.160123 (E_RNA)
where:
Base-Base interactions energy: -179.308
where: short stacking energy: -72.397
Base-Backbone interact. energy: -0.096
local terms energy: -69.755643
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -17.827
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: 345
Temperature: 0.950000
Total energy: -243.134764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.134764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.134764 (E_RNA)
where:
Base-Base interactions energy: -163.253
where: short stacking energy: -75.182
Base-Backbone interact. energy: -0.028
local terms energy: -79.853384
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -20.235
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: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -234.118555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.118555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.118555 (E_RNA)
where:
Base-Base interactions energy: -163.835
where: short stacking energy: -71.421
Base-Backbone interact. energy: 0.230
local terms energy: -70.514141
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -238.476690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.476690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.476690 (E_RNA)
where:
Base-Base interactions energy: -173.171
where: short stacking energy: -76.124
Base-Backbone interact. energy: -0.002
local terms energy: -65.304270
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -7.964
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -224.182879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.182879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.182879 (E_RNA)
where:
Base-Base interactions energy: -161.016
where: short stacking energy: -67.086
Base-Backbone interact. energy: -0.082
local terms energy: -63.084845
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -9.426
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -224.471431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.471431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.471431 (E_RNA)
where:
Base-Base interactions energy: -161.138
where: short stacking energy: -71.986
Base-Backbone interact. energy: -0.104
local terms energy: -63.229903
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.722
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: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -218.235671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.235671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.235671 (E_RNA)
where:
Base-Base interactions energy: -149.826
where: short stacking energy: -65.537
Base-Backbone interact. energy: -0.003
local terms energy: -68.406805
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -216.140536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.140536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.140536 (E_RNA)
where:
Base-Base interactions energy: -149.664
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.030
local terms energy: -66.446776
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -9.135
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -212.661205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.661205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.661205 (E_RNA)
where:
Base-Base interactions energy: -144.160
where: short stacking energy: -69.687
Base-Backbone interact. energy: -0.497
local terms energy: -68.003397
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -18.165
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: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -88.900593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.900593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.900593 (E_RNA)
where:
Base-Base interactions energy: -54.376
where: short stacking energy: -20.691
Base-Backbone interact. energy: 0.804
local terms energy: -35.329219
where:
bonds (distance) C4'-P energy: -5.288
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: 0.153
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: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -238.005710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.005710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.005710 (E_RNA)
where:
Base-Base interactions energy: -159.397
where: short stacking energy: -73.582
Base-Backbone interact. energy: -0.075
local terms energy: -78.533418
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -244.309368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.309368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.309368 (E_RNA)
where:
Base-Base interactions energy: -169.974
where: short stacking energy: -81.577
Base-Backbone interact. energy: -1.062
local terms energy: -73.273101
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -239.710842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.710842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.710842 (E_RNA)
where:
Base-Base interactions energy: -165.834
where: short stacking energy: -71.195
Base-Backbone interact. energy: -0.040
local terms energy: -73.836435
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -226.970843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.970843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.970843 (E_RNA)
where:
Base-Base interactions energy: -163.571
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.494
local terms energy: -62.906622
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -224.536909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.536909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.536909 (E_RNA)
where:
Base-Base interactions energy: -156.791
where: short stacking energy: -64.671
Base-Backbone interact. energy: -0.061
local terms energy: -67.684879
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -18.423
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: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -222.541702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.541702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.541702 (E_RNA)
where:
Base-Base interactions energy: -160.202
where: short stacking energy: -69.284
Base-Backbone interact. energy: -0.035
local terms energy: -62.304359
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -223.563397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.563397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.563397 (E_RNA)
where:
Base-Base interactions energy: -160.196
where: short stacking energy: -63.361
Base-Backbone interact. energy: -0.032
local terms energy: -63.336334
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.440
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: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -206.826922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.826922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.826922 (E_RNA)
where:
Base-Base interactions energy: -146.175
where: short stacking energy: -63.247
Base-Backbone interact. energy: 1.017
local terms energy: -61.669423
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.594
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: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -113.464611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.464611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.464611 (E_RNA)
where:
Base-Base interactions energy: -66.265
where: short stacking energy: -28.622
Base-Backbone interact. energy: -0.373
local terms energy: -46.826418
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -208.896149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.896149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.896149 (E_RNA)
where:
Base-Base interactions energy: -146.810
where: short stacking energy: -59.678
Base-Backbone interact. energy: 1.275
local terms energy: -63.360821
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.263
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: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -241.568980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.568980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.568980 (E_RNA)
where:
Base-Base interactions energy: -164.485
where: short stacking energy: -71.985
Base-Backbone interact. energy: -0.392
local terms energy: -76.691447
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -246.933885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.933885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.933885 (E_RNA)
where:
Base-Base interactions energy: -173.334
where: short stacking energy: -71.614
Base-Backbone interact. energy: -0.460
local terms energy: -73.139350
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -16.713
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: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -238.768151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.768151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.768151 (E_RNA)
where:
Base-Base interactions energy: -164.092
where: short stacking energy: -75.513
Base-Backbone interact. energy: -0.037
local terms energy: -74.639400
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -237.785355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.785355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.785355 (E_RNA)
where:
Base-Base interactions energy: -159.341
where: short stacking energy: -72.482
Base-Backbone interact. energy: -0.021
local terms energy: -78.423398
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -233.649082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.649082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.649082 (E_RNA)
where:
Base-Base interactions energy: -158.136
where: short stacking energy: -74.308
Base-Backbone interact. energy: -1.084
local terms energy: -74.428592
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -21.006
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: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -227.565384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.565384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.565384 (E_RNA)
where:
Base-Base interactions energy: -159.786
where: short stacking energy: -63.772
Base-Backbone interact. energy: -0.082
local terms energy: -67.697880
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -9.952
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: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -225.585581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.585581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.585581 (E_RNA)
where:
Base-Base interactions energy: -153.985
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.428
local terms energy: -71.172333
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -217.948189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.948189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.948189 (E_RNA)
where:
Base-Base interactions energy: -157.756
where: short stacking energy: -71.109
Base-Backbone interact. energy: -0.014
local terms energy: -60.178134
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -76.460596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.460596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.460596 (E_RNA)
where:
Base-Base interactions energy: -35.373
where: short stacking energy: -32.975
Base-Backbone interact. energy: -0.251
local terms energy: -40.836541
where:
bonds (distance) C4'-P energy: -8.425
bonds (distance) P-C4' energy: -8.955
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: 0.317
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: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -221.599302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.599302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.599302 (E_RNA)
where:
Base-Base interactions energy: -157.684
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.124
local terms energy: -63.791084
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -253.692297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.692297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.692297 (E_RNA)
where:
Base-Base interactions energy: -176.446
where: short stacking energy: -80.116
Base-Backbone interact. energy: -0.739
local terms energy: -76.507870
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -243.222588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.222588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.222588 (E_RNA)
where:
Base-Base interactions energy: -163.458
where: short stacking energy: -67.741
Base-Backbone interact. energy: -1.558
local terms energy: -78.207239
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -236.805496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.805496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.805496 (E_RNA)
where:
Base-Base interactions energy: -166.966
where: short stacking energy: -71.347
Base-Backbone interact. energy: -0.042
local terms energy: -69.797657
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -236.605464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.605464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.605464 (E_RNA)
where:
Base-Base interactions energy: -163.092
where: short stacking energy: -73.208
Base-Backbone interact. energy: -0.218
local terms energy: -73.295958
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -219.589949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.589949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.589949 (E_RNA)
where:
Base-Base interactions energy: -154.069
where: short stacking energy: -57.313
Base-Backbone interact. energy: 0.437
local terms energy: -65.958304
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -9.405
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: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -232.657559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.657559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.657559 (E_RNA)
where:
Base-Base interactions energy: -155.883
where: short stacking energy: -73.000
Base-Backbone interact. energy: -0.535
local terms energy: -76.239697
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -223.197205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.197205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.197205 (E_RNA)
where:
Base-Base interactions energy: -154.645
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.096
local terms energy: -68.455974
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -18.052
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: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -215.348912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.348912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.348912 (E_RNA)
where:
Base-Base interactions energy: -152.603
where: short stacking energy: -64.047
Base-Backbone interact. energy: 0.166
local terms energy: -62.912701
where:
bonds (distance) C4'-P energy: -7.747
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -6.549
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: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -210.803556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.803556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.803556 (E_RNA)
where:
Base-Base interactions energy: -152.099
where: short stacking energy: -66.787
Base-Backbone interact. energy: -2.150
local terms energy: -56.554513
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -4.514
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -18.103
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: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -73.548381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.548381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.548381 (E_RNA)
where:
Base-Base interactions energy: -30.881
where: short stacking energy: -30.881
Base-Backbone interact. energy: 0.388
local terms energy: -43.055299
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -241.914929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.914929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.914929 (E_RNA)
where:
Base-Base interactions energy: -171.513
where: short stacking energy: -65.736
Base-Backbone interact. energy: -0.072
local terms energy: -70.330006
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -241.030868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.030868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.030868 (E_RNA)
where:
Base-Base interactions energy: -171.323
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.889
local terms energy: -68.819009
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -9.907
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: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -239.577588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.577588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.577588 (E_RNA)
where:
Base-Base interactions energy: -167.997
where: short stacking energy: -71.573
Base-Backbone interact. energy: -0.007
local terms energy: -71.574168
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -228.920303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.920303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.920303 (E_RNA)
where:
Base-Base interactions energy: -161.685
where: short stacking energy: -67.214
Base-Backbone interact. energy: 0.142
local terms energy: -67.377819
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -12.892
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: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -239.613674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.613674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.613674 (E_RNA)
where:
Base-Base interactions energy: -158.804
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.690
local terms energy: -80.119478
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -224.469875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.469875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.469875 (E_RNA)
where:
Base-Base interactions energy: -155.965
where: short stacking energy: -64.837
Base-Backbone interact. energy: -0.045
local terms energy: -68.459876
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -224.576672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.576672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.576672 (E_RNA)
where:
Base-Base interactions energy: -158.044
where: short stacking energy: -66.861
Base-Backbone interact. energy: -0.008
local terms energy: -66.524641
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -20.375
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: 349
Temperature: 1.250000
Total energy: -219.943946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.943946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.943946 (E_RNA)
where:
Base-Base interactions energy: -153.520
where: short stacking energy: -68.131
Base-Backbone interact. energy: 0.931
local terms energy: -67.355777
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -209.281497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.281497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.281497 (E_RNA)
where:
Base-Base interactions energy: -146.669
where: short stacking energy: -60.246
Base-Backbone interact. energy: -1.220
local terms energy: -61.392467
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -18.803
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: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -72.382198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.382198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.382198 (E_RNA)
where:
Base-Base interactions energy: -26.958
where: short stacking energy: -22.467
Base-Backbone interact. energy: -0.260
local terms energy: -45.163308
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: 1.968
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: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -244.116605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.116605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.116605 (E_RNA)
where:
Base-Base interactions energy: -179.945
where: short stacking energy: -70.714
Base-Backbone interact. energy: -0.018
local terms energy: -64.153688
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -245.395068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.395068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.395068 (E_RNA)
where:
Base-Base interactions energy: -166.955
where: short stacking energy: -77.441
Base-Backbone interact. energy: -0.265
local terms energy: -78.174861
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -20.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -240.320237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.320237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.320237 (E_RNA)
where:
Base-Base interactions energy: -165.450
where: short stacking energy: -74.666
Base-Backbone interact. energy: -0.009
local terms energy: -74.860940
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -229.151053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.151053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.151053 (E_RNA)
where:
Base-Base interactions energy: -155.664
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.046
local terms energy: -73.440774
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -21.326
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: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -229.664589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.664589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.664589 (E_RNA)
where:
Base-Base interactions energy: -161.602
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.165
local terms energy: -67.898036
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -10.501
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: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -225.106549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.106549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.106549 (E_RNA)
where:
Base-Base interactions energy: -158.545
where: short stacking energy: -71.749
Base-Backbone interact. energy: -0.048
local terms energy: -66.513182
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -19.465
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: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -228.112384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.112384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.112384 (E_RNA)
where:
Base-Base interactions energy: -161.075
where: short stacking energy: -69.545
Base-Backbone interact. energy: -0.631
local terms energy: -66.406614
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -209.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.115530 (E_RNA)
where:
Base-Base interactions energy: -145.943
where: short stacking energy: -63.561
Base-Backbone interact. energy: -0.804
local terms energy: -62.368136
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.058
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: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -214.421270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.421270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.421270 (E_RNA)
where:
Base-Base interactions energy: -149.864
where: short stacking energy: -64.535
Base-Backbone interact. energy: -0.327
local terms energy: -64.229897
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -18.635
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: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -77.524963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.524963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.524963 (E_RNA)
where:
Base-Base interactions energy: -26.624
where: short stacking energy: -26.624
Base-Backbone interact. energy: -0.002
local terms energy: -50.898378
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -247.401564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.401564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.401564 (E_RNA)
where:
Base-Base interactions energy: -176.335
where: short stacking energy: -73.735
Base-Backbone interact. energy: -0.102
local terms energy: -70.964268
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -18.317
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: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -239.734762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.734762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.734762 (E_RNA)
where:
Base-Base interactions energy: -160.972
where: short stacking energy: -71.423
Base-Backbone interact. energy: -0.004
local terms energy: -78.758577
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -21.171
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: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -237.454923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.454923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.454923 (E_RNA)
where:
Base-Base interactions energy: -166.343
where: short stacking energy: -77.369
Base-Backbone interact. energy: -1.310
local terms energy: -69.801423
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -229.599267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.599267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.599267 (E_RNA)
where:
Base-Base interactions energy: -158.222
where: short stacking energy: -76.844
Base-Backbone interact. energy: -0.029
local terms energy: -71.348433
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -10.059
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: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -232.794181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.794181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.794181 (E_RNA)
where:
Base-Base interactions energy: -166.267
where: short stacking energy: -72.062
Base-Backbone interact. energy: -0.017
local terms energy: -66.509483
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -19.216
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: 351
Temperature: 1.150000
Total energy: -223.221176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.221176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.221176 (E_RNA)
where:
Base-Base interactions energy: -157.782
where: short stacking energy: -73.143
Base-Backbone interact. energy: 0.752
local terms energy: -66.191490
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -17.581
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: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -218.023883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.023883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.023883 (E_RNA)
where:
Base-Base interactions energy: -156.937
where: short stacking energy: -70.503
Base-Backbone interact. energy: -0.333
local terms energy: -60.753629
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -4.109
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -183.880266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.880266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.880266 (E_RNA)
where:
Base-Base interactions energy: -123.739
where: short stacking energy: -50.115
Base-Backbone interact. energy: -0.681
local terms energy: -59.459532
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -217.093853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.093853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.093853 (E_RNA)
where:
Base-Base interactions energy: -148.036
where: short stacking energy: -61.819
Base-Backbone interact. energy: -0.332
local terms energy: -68.726285
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -7.080
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: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -83.048333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.048333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.048333 (E_RNA)
where:
Base-Base interactions energy: -36.744
where: short stacking energy: -32.460
Base-Backbone interact. energy: -0.133
local terms energy: -46.171337
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -5.896
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -3.209
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: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -242.774771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.774771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.774771 (E_RNA)
where:
Base-Base interactions energy: -167.363
where: short stacking energy: -71.313
Base-Backbone interact. energy: -0.012
local terms energy: -75.399759
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -238.780816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.780816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.780816 (E_RNA)
where:
Base-Base interactions energy: -170.554
where: short stacking energy: -69.999
Base-Backbone interact. energy: -0.139
local terms energy: -68.087843
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -12.546
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: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -235.960751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.960751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.960751 (E_RNA)
where:
Base-Base interactions energy: -160.149
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.158
local terms energy: -75.653373
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -243.423153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.423153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.423153 (E_RNA)
where:
Base-Base interactions energy: -166.168
where: short stacking energy: -78.096
Base-Backbone interact. energy: -0.403
local terms energy: -76.851813
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -20.050
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: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -230.703393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.703393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.703393 (E_RNA)
where:
Base-Base interactions energy: -162.308
where: short stacking energy: -70.948
Base-Backbone interact. energy: -0.238
local terms energy: -68.156780
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -217.206013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.206013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.206013 (E_RNA)
where:
Base-Base interactions energy: -157.076
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.122
local terms energy: -60.007284
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -226.915404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.915404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.915404 (E_RNA)
where:
Base-Base interactions energy: -154.269
where: short stacking energy: -65.517
Base-Backbone interact. energy: -0.412
local terms energy: -72.233746
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -207.320723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.320723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.320723 (E_RNA)
where:
Base-Base interactions energy: -145.805
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.169
local terms energy: -61.347265
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -8.690
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: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -80.172578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.172578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.172578 (E_RNA)
where:
Base-Base interactions energy: -35.084
where: short stacking energy: -24.380
Base-Backbone interact. energy: -0.343
local terms energy: -44.744721
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: 0.791
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: 352
Temperature: 1.350000
Total energy: -206.876411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.876411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.876411 (E_RNA)
where:
Base-Base interactions energy: -142.672
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.389
local terms energy: -63.815824
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -15.276
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: 353
Temperature: 0.900000
Total energy: -247.073859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.073859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.073859 (E_RNA)
where:
Base-Base interactions energy: -175.349
where: short stacking energy: -73.177
Base-Backbone interact. energy: -0.012
local terms energy: -71.713263
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -234.393153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.393153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.393153 (E_RNA)
where:
Base-Base interactions energy: -161.009
where: short stacking energy: -63.995
Base-Backbone interact. energy: -0.069
local terms energy: -73.315594
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -12.275
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: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -238.089853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.089853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.089853 (E_RNA)
where:
Base-Base interactions energy: -169.580
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.595
local terms energy: -67.914986
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -236.270161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.270161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.270161 (E_RNA)
where:
Base-Base interactions energy: -160.685
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.822
local terms energy: -74.762945
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -13.275
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: 353
Temperature: 1.100000
Total energy: -232.682304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.682304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.682304 (E_RNA)
where:
Base-Base interactions energy: -165.365
where: short stacking energy: -74.459
Base-Backbone interact. energy: -0.002
local terms energy: -67.314678
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -227.631375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.631375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.631375 (E_RNA)
where:
Base-Base interactions energy: -157.995
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.272
local terms energy: -69.364266
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -13.306
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: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -220.488872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.488872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.488872 (E_RNA)
where:
Base-Base interactions energy: -151.708
where: short stacking energy: -66.130
Base-Backbone interact. energy: -1.158
local terms energy: -67.623059
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -217.469206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.469206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.469206 (E_RNA)
where:
Base-Base interactions energy: -158.835
where: short stacking energy: -65.777
Base-Backbone interact. energy: -0.145
local terms energy: -58.489100
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -8.859
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: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -79.818511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.818511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.818511 (E_RNA)
where:
Base-Base interactions energy: -34.822
where: short stacking energy: -27.870
Base-Backbone interact. energy: -0.016
local terms energy: -44.980531
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -7.426
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -214.448394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.448394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.448394 (E_RNA)
where:
Base-Base interactions energy: -152.767
where: short stacking energy: -67.805
Base-Backbone interact. energy: -0.010
local terms energy: -61.670514
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -13.318
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: 354
Temperature: 0.900000
Total energy: -245.371606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.371606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.371606 (E_RNA)
where:
Base-Base interactions energy: -168.319
where: short stacking energy: -75.335
Base-Backbone interact. energy: -1.086
local terms energy: -75.966580
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -20.270
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: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -240.067209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.067209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.067209 (E_RNA)
where:
Base-Base interactions energy: -174.090
where: short stacking energy: -70.435
Base-Backbone interact. energy: -0.097
local terms energy: -65.880781
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -230.040400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.040400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.040400 (E_RNA)
where:
Base-Base interactions energy: -160.240
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.219
local terms energy: -69.581520
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -19.443
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: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -235.763119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.763119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.763119 (E_RNA)
where:
Base-Base interactions energy: -163.990
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.170
local terms energy: -71.603411
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -229.319770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.319770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.319770 (E_RNA)
where:
Base-Base interactions energy: -160.961
where: short stacking energy: -74.598
Base-Backbone interact. energy: -0.592
local terms energy: -67.766430
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -19.104
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: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -225.581955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.581955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.581955 (E_RNA)
where:
Base-Base interactions energy: -157.866
where: short stacking energy: -69.955
Base-Backbone interact. energy: -0.002
local terms energy: -67.713465
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -213.419725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.419725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.419725 (E_RNA)
where:
Base-Base interactions energy: -150.225
where: short stacking energy: -60.120
Base-Backbone interact. energy: -0.146
local terms energy: -63.049298
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -18.466
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: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -214.908784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.908784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.908784 (E_RNA)
where:
Base-Base interactions energy: -156.721
where: short stacking energy: -63.059
Base-Backbone interact. energy: -1.035
local terms energy: -57.152509
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -9.110
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -9.480
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: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -201.113235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.113235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.113235 (E_RNA)
where:
Base-Base interactions energy: -146.671
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.027
local terms energy: -54.415144
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -6.113
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: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -83.008383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.008383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.008383 (E_RNA)
where:
Base-Base interactions energy: -30.094
where: short stacking energy: -30.094
Base-Backbone interact. energy: 0.436
local terms energy: -53.350583
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -1.975
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -248.877887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.877887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.877887 (E_RNA)
where:
Base-Base interactions energy: -168.195
where: short stacking energy: -76.571
Base-Backbone interact. energy: -0.351
local terms energy: -80.331580
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -242.153312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.153312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.153312 (E_RNA)
where:
Base-Base interactions energy: -167.642
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.056
local terms energy: -74.455881
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -11.640
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: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -238.444990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.444990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.444990 (E_RNA)
where:
Base-Base interactions energy: -170.297
where: short stacking energy: -67.666
Base-Backbone interact. energy: 0.574
local terms energy: -68.722193
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -19.187
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: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -230.377130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.377130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.377130 (E_RNA)
where:
Base-Base interactions energy: -155.371
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.006
local terms energy: -75.000460
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -219.523207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.523207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.523207 (E_RNA)
where:
Base-Base interactions energy: -154.635
where: short stacking energy: -70.539
Base-Backbone interact. energy: -0.026
local terms energy: -64.862537
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -9.633
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: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -221.037816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.037816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.037816 (E_RNA)
where:
Base-Base interactions energy: -150.961
where: short stacking energy: -68.339
Base-Backbone interact. energy: -0.020
local terms energy: -70.056724
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -11.612
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: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -220.182638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.182638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.182638 (E_RNA)
where:
Base-Base interactions energy: -149.197
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.694
local terms energy: -70.291177
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -12.258
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: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -212.472029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.472029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.472029 (E_RNA)
where:
Base-Base interactions energy: -150.474
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.090
local terms energy: -61.907796
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -199.416141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.416141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.416141 (E_RNA)
where:
Base-Base interactions energy: -134.914
where: short stacking energy: -54.517
Base-Backbone interact. energy: -0.066
local terms energy: -64.436406
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -10.689
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: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -80.652982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.652982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.652982 (E_RNA)
where:
Base-Base interactions energy: -30.073
where: short stacking energy: -30.073
Base-Backbone interact. energy: -0.122
local terms energy: -50.457528
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -243.752471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.752471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.752471 (E_RNA)
where:
Base-Base interactions energy: -172.551
where: short stacking energy: -74.893
Base-Backbone interact. energy: -0.401
local terms energy: -70.801236
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -235.896887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.896887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.896887 (E_RNA)
where:
Base-Base interactions energy: -166.255
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.242
local terms energy: -69.400165
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -231.075038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.075038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.075038 (E_RNA)
where:
Base-Base interactions energy: -156.487
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.334
local terms energy: -74.253793
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -20.304
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: 356
Temperature: 1.050000
Total energy: -237.677379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.677379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.677379 (E_RNA)
where:
Base-Base interactions energy: -163.360
where: short stacking energy: -73.703
Base-Backbone interact. energy: -0.005
local terms energy: -74.311591
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -232.587258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.587258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.587258 (E_RNA)
where:
Base-Base interactions energy: -159.578
where: short stacking energy: -74.852
Base-Backbone interact. energy: -0.266
local terms energy: -72.742688
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -19.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -220.819216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.819216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.819216 (E_RNA)
where:
Base-Base interactions energy: -159.686
where: short stacking energy: -68.541
Base-Backbone interact. energy: -0.446
local terms energy: -60.687433
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -11.843
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: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -221.209286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.209286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.209286 (E_RNA)
where:
Base-Base interactions energy: -160.695
where: short stacking energy: -64.446
Base-Backbone interact. energy: -0.146
local terms energy: -60.368155
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -211.448120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.448120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.448120 (E_RNA)
where:
Base-Base interactions energy: -151.014
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.642
local terms energy: -59.792633
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -8.497
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -11.310
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -207.572506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.572506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.572506 (E_RNA)
where:
Base-Base interactions energy: -145.155
where: short stacking energy: -63.707
Base-Backbone interact. energy: -0.050
local terms energy: -62.368194
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -13.014
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: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -82.581093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.581093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.581093 (E_RNA)
where:
Base-Base interactions energy: -35.118
where: short stacking energy: -35.118
Base-Backbone interact. energy: -0.243
local terms energy: -47.220441
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -242.483802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.483802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.483802 (E_RNA)
where:
Base-Base interactions energy: -166.251
where: short stacking energy: -72.656
Base-Backbone interact. energy: -0.127
local terms energy: -76.105645
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -19.866
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: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -237.057915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.057915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.057915 (E_RNA)
where:
Base-Base interactions energy: -171.075
where: short stacking energy: -75.794
Base-Backbone interact. energy: -0.000
local terms energy: -65.982240
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -10.502
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: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -231.409273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.409273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.409273 (E_RNA)
where:
Base-Base interactions energy: -162.803
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.080
local terms energy: -68.526348
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -11.101
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: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -233.877737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.877737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.877737 (E_RNA)
where:
Base-Base interactions energy: -164.188
where: short stacking energy: -77.590
Base-Backbone interact. energy: -0.003
local terms energy: -69.686287
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -20.932
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: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -230.876167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.876167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.876167 (E_RNA)
where:
Base-Base interactions energy: -161.500
where: short stacking energy: -72.638
Base-Backbone interact. energy: -0.002
local terms energy: -69.375118
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -224.075623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.075623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.075623 (E_RNA)
where:
Base-Base interactions energy: -152.675
where: short stacking energy: -72.328
Base-Backbone interact. energy: -0.001
local terms energy: -71.399829
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -20.421
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: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -224.434357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.434357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.434357 (E_RNA)
where:
Base-Base interactions energy: -153.832
where: short stacking energy: -61.041
Base-Backbone interact. energy: -0.755
local terms energy: -69.847653
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -9.499
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: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -220.623550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.623550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.623550 (E_RNA)
where:
Base-Base interactions energy: -155.844
where: short stacking energy: -70.084
Base-Backbone interact. energy: -0.656
local terms energy: -64.123936
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -13.254
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: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -212.145700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.145700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.145700 (E_RNA)
where:
Base-Base interactions energy: -149.364
where: short stacking energy: -68.223
Base-Backbone interact. energy: -0.083
local terms energy: -62.698778
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -8.646
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -12.225
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: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -80.721076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.721076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.721076 (E_RNA)
where:
Base-Base interactions energy: -28.104
where: short stacking energy: -28.272
Base-Backbone interact. energy: -0.050
local terms energy: -52.566988
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -7.059
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: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -241.132720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.132720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.132720 (E_RNA)
where:
Base-Base interactions energy: -163.353
where: short stacking energy: -76.398
Base-Backbone interact. energy: -0.002
local terms energy: -77.777020
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -19.456
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: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -244.682635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.682635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.682635 (E_RNA)
where:
Base-Base interactions energy: -163.144
where: short stacking energy: -75.157
Base-Backbone interact. energy: -0.002
local terms energy: -81.536884
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -237.015304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.015304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.015304 (E_RNA)
where:
Base-Base interactions energy: -160.919
where: short stacking energy: -76.980
Base-Backbone interact. energy: -0.027
local terms energy: -76.068670
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -234.615252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.615252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.615252 (E_RNA)
where:
Base-Base interactions energy: -168.074
where: short stacking energy: -76.098
Base-Backbone interact. energy: -1.110
local terms energy: -65.431375
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -18.887
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: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -230.767974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.767974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.767974 (E_RNA)
where:
Base-Base interactions energy: -158.372
where: short stacking energy: -72.671
Base-Backbone interact. energy: -0.435
local terms energy: -71.960841
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -22.294
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: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -219.992039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.992039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.992039 (E_RNA)
where:
Base-Base interactions energy: -152.146
where: short stacking energy: -68.465
Base-Backbone interact. energy: -0.188
local terms energy: -67.657542
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -221.766216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.766216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.766216 (E_RNA)
where:
Base-Base interactions energy: -154.698
where: short stacking energy: -62.746
Base-Backbone interact. energy: -0.001
local terms energy: -67.067010
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -8.849
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -16.887
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: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -222.503214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.503214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.503214 (E_RNA)
where:
Base-Base interactions energy: -164.251
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.000
local terms energy: -58.251683
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -19.672
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: 358
Temperature: 1.300000
Total energy: -206.739924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.739924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.739924 (E_RNA)
where:
Base-Base interactions energy: -145.599
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.137
local terms energy: -61.003944
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -10.922
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: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -81.801249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.801249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.801249 (E_RNA)
where:
Base-Base interactions energy: -40.245
where: short stacking energy: -35.274
Base-Backbone interact. energy: -0.108
local terms energy: -41.448903
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: 1.207
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -243.011381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.011381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.011381 (E_RNA)
where:
Base-Base interactions energy: -165.002
where: short stacking energy: -74.268
Base-Backbone interact. energy: -0.675
local terms energy: -77.334109
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -245.169081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.169081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.169081 (E_RNA)
where:
Base-Base interactions energy: -170.092
where: short stacking energy: -75.009
Base-Backbone interact. energy: -0.585
local terms energy: -74.492451
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -239.459741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.459741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.459741 (E_RNA)
where:
Base-Base interactions energy: -163.225
where: short stacking energy: -77.755
Base-Backbone interact. energy: -0.009
local terms energy: -76.226307
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -22.540
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: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -237.987322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.987322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.987322 (E_RNA)
where:
Base-Base interactions energy: -164.599
where: short stacking energy: -77.717
Base-Backbone interact. energy: -0.003
local terms energy: -73.385044
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -223.828202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.828202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.828202 (E_RNA)
where:
Base-Base interactions energy: -160.210
where: short stacking energy: -69.820
Base-Backbone interact. energy: -0.003
local terms energy: -63.615417
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -4.856
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: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -220.851898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.851898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.851898 (E_RNA)
where:
Base-Base interactions energy: -154.088
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.111
local terms energy: -66.652268
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -6.735
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: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -218.059679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.059679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.059679 (E_RNA)
where:
Base-Base interactions energy: -156.662
where: short stacking energy: -72.236
Base-Backbone interact. energy: -0.008
local terms energy: -61.390247
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -9.657
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -16.902
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: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -218.903533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.903533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.903533 (E_RNA)
where:
Base-Base interactions energy: -147.157
where: short stacking energy: -60.441
Base-Backbone interact. energy: -0.048
local terms energy: -71.697993
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -10.303
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: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -208.483682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.483682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.483682 (E_RNA)
where:
Base-Base interactions energy: -143.055
where: short stacking energy: -62.060
Base-Backbone interact. energy: -0.002
local terms energy: -65.427075
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -81.042804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.042804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.042804 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.032
local terms energy: -49.148081
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -245.131744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.131744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.131744 (E_RNA)
where:
Base-Base interactions energy: -173.395
where: short stacking energy: -72.079
Base-Backbone interact. energy: -0.045
local terms energy: -71.691566
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -9.758
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: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -245.664621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.664621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.664621 (E_RNA)
where:
Base-Base interactions energy: -170.331
where: short stacking energy: -75.886
Base-Backbone interact. energy: -0.004
local terms energy: -75.330295
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -242.265499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.265499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.265499 (E_RNA)
where:
Base-Base interactions energy: -167.556
where: short stacking energy: -73.900
Base-Backbone interact. energy: -0.125
local terms energy: -74.584380
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -19.038
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: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -229.736014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.736014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.736014 (E_RNA)
where:
Base-Base interactions energy: -164.392
where: short stacking energy: -67.861
Base-Backbone interact. energy: -0.315
local terms energy: -65.028789
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -9.300
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: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -234.187478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.187478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.187478 (E_RNA)
where:
Base-Base interactions energy: -157.226
where: short stacking energy: -69.378
Base-Backbone interact. energy: -0.001
local terms energy: -76.960610
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -223.153949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.153949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.153949 (E_RNA)
where:
Base-Base interactions energy: -153.834
where: short stacking energy: -63.503
Base-Backbone interact. energy: -0.200
local terms energy: -69.119889
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -14.140
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: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -217.843582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.843582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.843582 (E_RNA)
where:
Base-Base interactions energy: -152.530
where: short stacking energy: -67.851
Base-Backbone interact. energy: -0.032
local terms energy: -65.281305
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -211.283587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.283587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.283587 (E_RNA)
where:
Base-Base interactions energy: -143.139
where: short stacking energy: -58.430
Base-Backbone interact. energy: -1.041
local terms energy: -67.103293
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -201.345398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.345398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.345398 (E_RNA)
where:
Base-Base interactions energy: -143.127
where: short stacking energy: -60.832
Base-Backbone interact. energy: -0.013
local terms energy: -58.205875
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -12.127
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: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -78.296251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.296251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.296251 (E_RNA)
where:
Base-Base interactions energy: -31.021
where: short stacking energy: -30.134
Base-Backbone interact. energy: -0.202
local terms energy: -47.072890
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -252.653016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.653016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.653016 (E_RNA)
where:
Base-Base interactions energy: -178.251
where: short stacking energy: -76.735
Base-Backbone interact. energy: -0.003
local terms energy: -74.398826
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -246.387157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.387157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.387157 (E_RNA)
where:
Base-Base interactions energy: -175.044
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.796
local terms energy: -70.546317
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -20.955
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: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -232.808622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.808622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.808622 (E_RNA)
where:
Base-Base interactions energy: -162.507
where: short stacking energy: -68.034
Base-Backbone interact. energy: -0.829
local terms energy: -69.472683
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -13.065
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: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -236.882108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.882108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.882108 (E_RNA)
where:
Base-Base interactions energy: -164.613
where: short stacking energy: -70.066
Base-Backbone interact. energy: -0.208
local terms energy: -72.060978
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -223.089372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.089372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.089372 (E_RNA)
where:
Base-Base interactions energy: -151.598
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.045
local terms energy: -71.446330
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -13.351
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: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -231.418925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.418925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.418925 (E_RNA)
where:
Base-Base interactions energy: -161.525
where: short stacking energy: -70.278
Base-Backbone interact. energy: -1.493
local terms energy: -68.400493
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -217.755780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.755780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.755780 (E_RNA)
where:
Base-Base interactions energy: -159.120
where: short stacking energy: -68.085
Base-Backbone interact. energy: -0.110
local terms energy: -58.526691
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -13.778
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: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -222.534371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.534371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.534371 (E_RNA)
where:
Base-Base interactions energy: -156.760
where: short stacking energy: -67.861
Base-Backbone interact. energy: -0.064
local terms energy: -65.710711
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -206.630392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.630392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.630392 (E_RNA)
where:
Base-Base interactions energy: -139.368
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.101
local terms energy: -67.161131
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -72.394552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.394552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.394552 (E_RNA)
where:
Base-Base interactions energy: -28.863
where: short stacking energy: -24.065
Base-Backbone interact. energy: -0.736
local terms energy: -42.796078
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: 3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -248.938197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.938197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.938197 (E_RNA)
where:
Base-Base interactions energy: -169.312
where: short stacking energy: -78.418
Base-Backbone interact. energy: -0.486
local terms energy: -79.140563
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -13.800
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: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -241.355183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.355183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.355183 (E_RNA)
where:
Base-Base interactions energy: -168.825
where: short stacking energy: -71.654
Base-Backbone interact. energy: -0.031
local terms energy: -72.499852
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -18.442
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: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -242.486993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.486993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.486993 (E_RNA)
where:
Base-Base interactions energy: -167.059
where: short stacking energy: -77.991
Base-Backbone interact. energy: -0.251
local terms energy: -75.176845
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -21.061
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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -247.067340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.067340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.067340 (E_RNA)
where:
Base-Base interactions energy: -172.932
where: short stacking energy: -83.679
Base-Backbone interact. energy: -0.632
local terms energy: -73.503080
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -227.747510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.747510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.747510 (E_RNA)
where:
Base-Base interactions energy: -160.159
where: short stacking energy: -71.252
Base-Backbone interact. energy: -0.183
local terms energy: -67.406290
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -17.334
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: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -219.399270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.399270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.399270 (E_RNA)
where:
Base-Base interactions energy: -158.356
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.494
local terms energy: -60.549151
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -5.528
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: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -221.731811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.731811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.731811 (E_RNA)
where:
Base-Base interactions energy: -150.491
where: short stacking energy: -64.712
Base-Backbone interact. energy: -0.281
local terms energy: -70.959713
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -18.708
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: 362
Temperature: 1.250000
Total energy: -212.136894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.136894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.136894 (E_RNA)
where:
Base-Base interactions energy: -146.617
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.208
local terms energy: -65.312085
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -204.502715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.502715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.502715 (E_RNA)
where:
Base-Base interactions energy: -135.969
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.735
local terms energy: -67.798519
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -77.564139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.564139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.564139 (E_RNA)
where:
Base-Base interactions energy: -34.633
where: short stacking energy: -34.633
Base-Backbone interact. energy: -0.137
local terms energy: -42.794499
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -1.312
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: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -244.291650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.291650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.291650 (E_RNA)
where:
Base-Base interactions energy: -165.728
where: short stacking energy: -69.447
Base-Backbone interact. energy: -0.194
local terms energy: -78.369289
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -240.658918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.658918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.658918 (E_RNA)
where:
Base-Base interactions energy: -165.444
where: short stacking energy: -77.985
Base-Backbone interact. energy: -0.220
local terms energy: -74.994304
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -20.093
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: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -243.369823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.369823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.369823 (E_RNA)
where:
Base-Base interactions energy: -163.127
where: short stacking energy: -77.303
Base-Backbone interact. energy: -0.729
local terms energy: -79.513796
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -237.388969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.388969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.388969 (E_RNA)
where:
Base-Base interactions energy: -164.592
where: short stacking energy: -72.139
Base-Backbone interact. energy: -0.044
local terms energy: -72.752849
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -228.092586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.092586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.092586 (E_RNA)
where:
Base-Base interactions energy: -155.999
where: short stacking energy: -68.483
Base-Backbone interact. energy: -0.013
local terms energy: -72.080885
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -224.877676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.877676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.877676 (E_RNA)
where:
Base-Base interactions energy: -159.667
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.731
local terms energy: -64.479919
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -12.252
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: 363
Temperature: 1.200000
Total energy: -226.608413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.608413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.608413 (E_RNA)
where:
Base-Base interactions energy: -161.327
where: short stacking energy: -70.351
Base-Backbone interact. energy: -0.006
local terms energy: -65.274981
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -208.127186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.127186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.127186 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -59.338
Base-Backbone interact. energy: -0.473
local terms energy: -63.697278
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -222.178565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.178565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.178565 (E_RNA)
where:
Base-Base interactions energy: -146.122
where: short stacking energy: -60.330
Base-Backbone interact. energy: 0.886
local terms energy: -76.942086
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -12.672
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: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -82.220757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.220757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.220757 (E_RNA)
where:
Base-Base interactions energy: -34.974
where: short stacking energy: -30.531
Base-Backbone interact. energy: -1.895
local terms energy: -45.351673
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -250.165664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.165664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.165664 (E_RNA)
where:
Base-Base interactions energy: -173.406
where: short stacking energy: -82.570
Base-Backbone interact. energy: -0.809
local terms energy: -75.951041
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -19.496
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -239.835827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.835827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.835827 (E_RNA)
where:
Base-Base interactions energy: -167.941
where: short stacking energy: -80.384
Base-Backbone interact. energy: -1.042
local terms energy: -70.852495
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -243.460070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.460070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.460070 (E_RNA)
where:
Base-Base interactions energy: -161.146
where: short stacking energy: -78.472
Base-Backbone interact. energy: -1.176
local terms energy: -81.138013
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -20.670
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: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -240.782760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.782760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.782760 (E_RNA)
where:
Base-Base interactions energy: -161.571
where: short stacking energy: -72.725
Base-Backbone interact. energy: -0.000
local terms energy: -79.211724
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -20.603
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: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -226.712550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.712550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.712550 (E_RNA)
where:
Base-Base interactions energy: -152.712
where: short stacking energy: -73.339
Base-Backbone interact. energy: -0.249
local terms energy: -73.750788
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -17.278
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: 364
Temperature: 1.150000
Total energy: -222.392032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.392032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.392032 (E_RNA)
where:
Base-Base interactions energy: -154.360
where: short stacking energy: -69.921
Base-Backbone interact. energy: -0.000
local terms energy: -68.031329
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -222.886801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.886801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.886801 (E_RNA)
where:
Base-Base interactions energy: -155.784
where: short stacking energy: -69.313
Base-Backbone interact. energy: -0.006
local terms energy: -67.096411
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -17.861
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: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -223.005720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.005720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.005720 (E_RNA)
where:
Base-Base interactions energy: -153.547
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.000
local terms energy: -69.458858
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -20.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -207.201486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.201486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.201486 (E_RNA)
where:
Base-Base interactions energy: -139.066
where: short stacking energy: -62.571
Base-Backbone interact. energy: -0.340
local terms energy: -67.795771
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -16.754
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: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -85.361084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.361084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.361084 (E_RNA)
where:
Base-Base interactions energy: -34.113
where: short stacking energy: -30.499
Base-Backbone interact. energy: -0.107
local terms energy: -51.141788
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -242.012856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.012856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.012856 (E_RNA)
where:
Base-Base interactions energy: -171.866
where: short stacking energy: -80.928
Base-Backbone interact. energy: -0.006
local terms energy: -70.140398
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -19.155
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: 365
Temperature: 0.950000
Total energy: -240.917985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.917985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.917985 (E_RNA)
where:
Base-Base interactions energy: -166.707
where: short stacking energy: -78.088
Base-Backbone interact. energy: -0.122
local terms energy: -74.089405
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -237.907477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.907477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.907477 (E_RNA)
where:
Base-Base interactions energy: -166.225
where: short stacking energy: -78.779
Base-Backbone interact. energy: -0.027
local terms energy: -71.655847
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.166
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: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -228.514374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.514374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.514374 (E_RNA)
where:
Base-Base interactions energy: -152.382
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.000
local terms energy: -76.132500
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -20.937
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -225.792705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.792705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.792705 (E_RNA)
where:
Base-Base interactions energy: -156.973
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.659
local terms energy: -68.160574
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -8.520
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: 6, replica: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -224.192068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.192068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.192068 (E_RNA)
where:
Base-Base interactions energy: -164.578
where: short stacking energy: -69.181
Base-Backbone interact. energy: 1.912
local terms energy: -61.525681
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -210.311765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.311765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.311765 (E_RNA)
where:
Base-Base interactions energy: -144.787
where: short stacking energy: -64.136
Base-Backbone interact. energy: -0.832
local terms energy: -64.692465
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -10.652
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: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -217.230170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.230170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.230170 (E_RNA)
where:
Base-Base interactions energy: -152.306
where: short stacking energy: -61.558
Base-Backbone interact. energy: -0.033
local terms energy: -64.890700
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -4.784
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: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -203.948423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.948423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.948423 (E_RNA)
where:
Base-Base interactions energy: -147.671
where: short stacking energy: -58.261
Base-Backbone interact. energy: 0.616
local terms energy: -56.893618
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -8.994
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: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -72.426925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.426925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.426925 (E_RNA)
where:
Base-Base interactions energy: -25.004
where: short stacking energy: -25.004
Base-Backbone interact. energy: -0.389
local terms energy: -47.033783
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -2.508
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -241.530657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.530657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.530657 (E_RNA)
where:
Base-Base interactions energy: -173.088
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.160
local terms energy: -68.283286
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -19.636
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: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -244.791682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.791682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.791682 (E_RNA)
where:
Base-Base interactions energy: -167.764
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.381
local terms energy: -76.646537
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -20.190
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: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -243.334664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.334664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.334664 (E_RNA)
where:
Base-Base interactions energy: -162.763
where: short stacking energy: -74.592
Base-Backbone interact. energy: -0.413
local terms energy: -80.158632
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -235.332152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.332152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.332152 (E_RNA)
where:
Base-Base interactions energy: -170.136
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.404
local terms energy: -64.791970
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -11.070
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: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -230.374792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.374792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.374792 (E_RNA)
where:
Base-Base interactions energy: -163.394
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.061
local terms energy: -66.920121
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -235.339245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.339245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.339245 (E_RNA)
where:
Base-Base interactions energy: -164.775
where: short stacking energy: -75.373
Base-Backbone interact. energy: -0.661
local terms energy: -69.903324
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -218.450029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.450029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.450029 (E_RNA)
where:
Base-Base interactions energy: -155.194
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.048
local terms energy: -63.208410
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -5.939
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -11.112
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: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -213.919081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.919081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.919081 (E_RNA)
where:
Base-Base interactions energy: -152.385
where: short stacking energy: -69.620
Base-Backbone interact. energy: -0.035
local terms energy: -61.499127
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -10.001
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -168.714242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.714242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.714242 (E_RNA)
where:
Base-Base interactions energy: -113.776
where: short stacking energy: -53.206
Base-Backbone interact. energy: -0.114
local terms energy: -54.824314
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -7.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -75.549617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.549617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.549617 (E_RNA)
where:
Base-Base interactions energy: -19.358
where: short stacking energy: -8.854
Base-Backbone interact. energy: -0.157
local terms energy: -56.034858
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -250.829676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.829676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.829676 (E_RNA)
where:
Base-Base interactions energy: -175.742
where: short stacking energy: -74.492
Base-Backbone interact. energy: -0.645
local terms energy: -74.442859
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -239.201664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.201664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.201664 (E_RNA)
where:
Base-Base interactions energy: -166.714
where: short stacking energy: -79.226
Base-Backbone interact. energy: -0.262
local terms energy: -72.225953
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -20.076
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: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -245.114789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.114789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.114789 (E_RNA)
where:
Base-Base interactions energy: -165.772
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.429
local terms energy: -78.913781
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -18.925
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: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -238.419637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.419637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.419637 (E_RNA)
where:
Base-Base interactions energy: -167.477
where: short stacking energy: -68.154
Base-Backbone interact. energy: -0.071
local terms energy: -70.871523
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -17.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -232.692382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.692382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.692382 (E_RNA)
where:
Base-Base interactions energy: -166.012
where: short stacking energy: -81.244
Base-Backbone interact. energy: -0.788
local terms energy: -65.892600
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -223.111792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.111792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.111792 (E_RNA)
where:
Base-Base interactions energy: -159.423
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.000
local terms energy: -63.688804
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -235.080099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.080099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.080099 (E_RNA)
where:
Base-Base interactions energy: -160.495
where: short stacking energy: -72.513
Base-Backbone interact. energy: -0.002
local terms energy: -74.583223
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -216.129949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.129949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.129949 (E_RNA)
where:
Base-Base interactions energy: -158.186
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.025
local terms energy: -57.918991
where:
bonds (distance) C4'-P energy: -9.298
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -7.605
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: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -209.052931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.052931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.052931 (E_RNA)
where:
Base-Base interactions energy: -147.643
where: short stacking energy: -67.429
Base-Backbone interact. energy: -0.095
local terms energy: -61.314369
where:
bonds (distance) C4'-P energy: -6.267
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -17.266
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: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -69.055711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.055711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.055711 (E_RNA)
where:
Base-Base interactions energy: -25.254
where: short stacking energy: -25.254
Base-Backbone interact. energy: -0.168
local terms energy: -43.633820
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -4.303
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -245.182380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.182380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.182380 (E_RNA)
where:
Base-Base interactions energy: -170.407
where: short stacking energy: -71.142
Base-Backbone interact. energy: -0.016
local terms energy: -74.759585
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -16.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -242.749773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.749773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.749773 (E_RNA)
where:
Base-Base interactions energy: -166.895
where: short stacking energy: -74.888
Base-Backbone interact. energy: -0.009
local terms energy: -75.845923
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -19.896
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: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -238.938144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.938144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.938144 (E_RNA)
where:
Base-Base interactions energy: -163.042
where: short stacking energy: -76.132
Base-Backbone interact. energy: -0.032
local terms energy: -75.864808
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -227.365870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.365870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.365870 (E_RNA)
where:
Base-Base interactions energy: -152.032
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.109
local terms energy: -75.224868
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -219.587798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.587798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.587798 (E_RNA)
where:
Base-Base interactions energy: -155.990
where: short stacking energy: -68.069
Base-Backbone interact. energy: -0.050
local terms energy: -63.547475
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -10.065
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: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -231.224978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.224978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.224978 (E_RNA)
where:
Base-Base interactions energy: -157.459
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.217
local terms energy: -73.549194
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -20.580
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: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -222.938470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.938470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.938470 (E_RNA)
where:
Base-Base interactions energy: -159.303
where: short stacking energy: -68.176
Base-Backbone interact. energy: -0.004
local terms energy: -63.631698
where:
bonds (distance) C4'-P energy: -4.165
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -223.606979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.606979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.606979 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -65.761
Base-Backbone interact. energy: -0.420
local terms energy: -71.266197
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.918
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: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -205.840942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.840942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.840942 (E_RNA)
where:
Base-Base interactions energy: -143.221
where: short stacking energy: -59.763
Base-Backbone interact. energy: -0.061
local terms energy: -62.558761
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -13.276
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: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -86.910597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.910597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.910597 (E_RNA)
where:
Base-Base interactions energy: -39.469
where: short stacking energy: -38.082
Base-Backbone interact. energy: -0.057
local terms energy: -47.384816
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -9.114
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -243.195311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.195311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.195311 (E_RNA)
where:
Base-Base interactions energy: -166.533
where: short stacking energy: -72.681
Base-Backbone interact. energy: -0.000
local terms energy: -76.662376
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -241.285078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.285078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.285078 (E_RNA)
where:
Base-Base interactions energy: -169.011
where: short stacking energy: -75.020
Base-Backbone interact. energy: -0.914
local terms energy: -71.359552
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -21.766
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: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -232.622534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.622534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.622534 (E_RNA)
where:
Base-Base interactions energy: -162.137
where: short stacking energy: -75.824
Base-Backbone interact. energy: -0.046
local terms energy: -70.439255
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -227.746004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.746004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.746004 (E_RNA)
where:
Base-Base interactions energy: -161.235
where: short stacking energy: -73.070
Base-Backbone interact. energy: -0.272
local terms energy: -66.238493
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -15.593
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: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -223.391733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.391733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.391733 (E_RNA)
where:
Base-Base interactions energy: -151.398
where: short stacking energy: -63.520
Base-Backbone interact. energy: -0.666
local terms energy: -71.327610
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -9.807
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: 369
Temperature: 1.150000
Total energy: -218.463085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.463085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.463085 (E_RNA)
where:
Base-Base interactions energy: -150.161
where: short stacking energy: -62.444
Base-Backbone interact. energy: -0.252
local terms energy: -68.050260
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.840
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: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -222.912414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.912414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.912414 (E_RNA)
where:
Base-Base interactions energy: -156.821
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.002
local terms energy: -66.089592
where:
bonds (distance) C4'-P energy: -8.395
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -12.878
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: 8, replica: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -215.727379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.727379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.727379 (E_RNA)
where:
Base-Base interactions energy: -155.822
where: short stacking energy: -69.510
Base-Backbone interact. energy: 0.499
local terms energy: -60.404294
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -6.706
flat angles P-C4'-P energy: -10.188
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: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -212.106845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.106845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.106845 (E_RNA)
where:
Base-Base interactions energy: -148.514
where: short stacking energy: -56.743
Base-Backbone interact. energy: 0.168
local terms energy: -63.760862
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -76.157039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.157039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.157039 (E_RNA)
where:
Base-Base interactions energy: -27.244
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.735
local terms energy: -48.177756
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -246.801890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.801890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.801890 (E_RNA)
where:
Base-Base interactions energy: -161.717
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.992
local terms energy: -84.092374
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -22.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -249.782056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.782056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.782056 (E_RNA)
where:
Base-Base interactions energy: -168.956
where: short stacking energy: -80.565
Base-Backbone interact. energy: -0.676
local terms energy: -80.149424
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -238.021077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.021077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.021077 (E_RNA)
where:
Base-Base interactions energy: -168.475
where: short stacking energy: -71.774
Base-Backbone interact. energy: -0.009
local terms energy: -69.537398
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -16.053
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: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -221.563673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.563673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.563673 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -68.363
Base-Backbone interact. energy: -0.024
local terms energy: -69.532275
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.756
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: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -232.226805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.226805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.226805 (E_RNA)
where:
Base-Base interactions energy: -156.156
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.123
local terms energy: -75.947717
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -225.972234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.972234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.972234 (E_RNA)
where:
Base-Base interactions energy: -165.123
where: short stacking energy: -67.053
Base-Backbone interact. energy: -0.612
local terms energy: -60.237457
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -17.401
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: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -215.161078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.161078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.161078 (E_RNA)
where:
Base-Base interactions energy: -152.871
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.427
local terms energy: -61.863961
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -19.496
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: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -223.329545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.329545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.329545 (E_RNA)
where:
Base-Base interactions energy: -154.529
where: short stacking energy: -70.900
Base-Backbone interact. energy: -0.319
local terms energy: -68.481459
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -12.249
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: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -215.832679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.832679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.832679 (E_RNA)
where:
Base-Base interactions energy: -146.648
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.382
local terms energy: -68.802292
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -11.626
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: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -83.564066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.564066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.564066 (E_RNA)
where:
Base-Base interactions energy: -38.035
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.177
local terms energy: -45.352036
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -246.141978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.141978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.141978 (E_RNA)
where:
Base-Base interactions energy: -168.996
where: short stacking energy: -73.758
Base-Backbone interact. energy: -0.000
local terms energy: -77.145594
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -10.944
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: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -241.679479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.679479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.679479 (E_RNA)
where:
Base-Base interactions energy: -168.797
where: short stacking energy: -74.072
Base-Backbone interact. energy: -0.239
local terms energy: -72.642716
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -20.266
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: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -239.744591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.744591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.744591 (E_RNA)
where:
Base-Base interactions energy: -169.810
where: short stacking energy: -70.186
Base-Backbone interact. energy: -0.412
local terms energy: -69.522793
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -19.238
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: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -235.093584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.093584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.093584 (E_RNA)
where:
Base-Base interactions energy: -164.897
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.105
local terms energy: -70.092085
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -19.746
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: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -236.509147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.509147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.509147 (E_RNA)
where:
Base-Base interactions energy: -167.530
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.676
local terms energy: -68.303249
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.355
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: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -222.597839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.597839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.597839 (E_RNA)
where:
Base-Base interactions energy: -153.796
where: short stacking energy: -64.441
Base-Backbone interact. energy: -0.534
local terms energy: -68.268275
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -220.371730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.371730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.371730 (E_RNA)
where:
Base-Base interactions energy: -158.038
where: short stacking energy: -73.711
Base-Backbone interact. energy: -0.020
local terms energy: -62.314094
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -6.121
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -18.315
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: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -221.270804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.270804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.270804 (E_RNA)
where:
Base-Base interactions energy: -157.080
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.053
local terms energy: -64.137636
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -215.105462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.105462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.105462 (E_RNA)
where:
Base-Base interactions energy: -151.623
where: short stacking energy: -66.317
Base-Backbone interact. energy: -0.030
local terms energy: -63.452214
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -9.148
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: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -78.908971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.908971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.908971 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -24.624
Base-Backbone interact. energy: -0.317
local terms energy: -43.884558
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -248.757168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.757168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.757168 (E_RNA)
where:
Base-Base interactions energy: -173.355
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.432
local terms energy: -74.970148
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -20.985
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: 372
Temperature: 0.950000
Total energy: -240.500298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.500298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.500298 (E_RNA)
where:
Base-Base interactions energy: -166.447
where: short stacking energy: -76.672
Base-Backbone interact. energy: 1.668
local terms energy: -75.721707
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -243.881652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.881652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.881652 (E_RNA)
where:
Base-Base interactions energy: -166.742
where: short stacking energy: -72.052
Base-Backbone interact. energy: -0.690
local terms energy: -76.449584
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -231.816652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.816652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.816652 (E_RNA)
where:
Base-Base interactions energy: -171.212
where: short stacking energy: -70.658
Base-Backbone interact. energy: 1.055
local terms energy: -61.659633
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -7.266
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -230.096766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.096766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.096766 (E_RNA)
where:
Base-Base interactions energy: -162.911
where: short stacking energy: -68.840
Base-Backbone interact. energy: 0.683
local terms energy: -67.868714
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -20.665
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: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -227.670708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.670708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.670708 (E_RNA)
where:
Base-Base interactions energy: -156.629
where: short stacking energy: -74.911
Base-Backbone interact. energy: -0.029
local terms energy: -71.013105
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -211.197272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.197272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.197272 (E_RNA)
where:
Base-Base interactions energy: -145.244
where: short stacking energy: -55.748
Base-Backbone interact. energy: -0.389
local terms energy: -65.564180
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -13.706
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: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -221.278763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.278763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.278763 (E_RNA)
where:
Base-Base interactions energy: -149.299
where: short stacking energy: -60.046
Base-Backbone interact. energy: 0.536
local terms energy: -72.516265
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -19.932
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: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -214.289693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.289693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.289693 (E_RNA)
where:
Base-Base interactions energy: -150.570
where: short stacking energy: -65.470
Base-Backbone interact. energy: -0.570
local terms energy: -63.149169
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -13.947
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: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -73.729997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.729997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.729997 (E_RNA)
where:
Base-Base interactions energy: -41.457
where: short stacking energy: -14.765
Base-Backbone interact. energy: -0.026
local terms energy: -32.247318
where:
bonds (distance) C4'-P energy: -6.689
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -4.257
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: 2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -247.178530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.178530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.178530 (E_RNA)
where:
Base-Base interactions energy: -172.355
where: short stacking energy: -73.920
Base-Backbone interact. energy: -0.183
local terms energy: -74.641140
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -20.301
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: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -242.798296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.798296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.798296 (E_RNA)
where:
Base-Base interactions energy: -169.110
where: short stacking energy: -76.238
Base-Backbone interact. energy: -0.258
local terms energy: -73.430937
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -20.748
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: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -236.850996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.850996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.850996 (E_RNA)
where:
Base-Base interactions energy: -164.535
where: short stacking energy: -76.204
Base-Backbone interact. energy: -0.001
local terms energy: -72.315154
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -20.765
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: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -228.127940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.127940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.127940 (E_RNA)
where:
Base-Base interactions energy: -160.616
where: short stacking energy: -65.995
Base-Backbone interact. energy: -0.061
local terms energy: -67.451412
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -12.123
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: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -219.451608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.451608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.451608 (E_RNA)
where:
Base-Base interactions energy: -159.834
where: short stacking energy: -69.083
Base-Backbone interact. energy: 1.665
local terms energy: -61.282669
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -211.792036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.792036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.792036 (E_RNA)
where:
Base-Base interactions energy: -150.014
where: short stacking energy: -63.147
Base-Backbone interact. energy: -0.461
local terms energy: -61.317148
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.939
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: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -220.932611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.932611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.932611 (E_RNA)
where:
Base-Base interactions energy: -155.011
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.070
local terms energy: -65.851657
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -14.555
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: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -209.525832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.525832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.525832 (E_RNA)
where:
Base-Base interactions energy: -144.746
where: short stacking energy: -66.716
Base-Backbone interact. energy: -0.405
local terms energy: -64.375334
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -13.023
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: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -202.474168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.474168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.474168 (E_RNA)
where:
Base-Base interactions energy: -148.005
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.028
local terms energy: -54.440631
where:
bonds (distance) C4'-P energy: -4.239
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -83.963922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.963922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.963922 (E_RNA)
where:
Base-Base interactions energy: -33.453
where: short stacking energy: -16.780
Base-Backbone interact. energy: -0.056
local terms energy: -50.454795
where:
bonds (distance) C4'-P energy: -9.654
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -0.637
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: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -245.955666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.955666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.955666 (E_RNA)
where:
Base-Base interactions energy: -167.525
where: short stacking energy: -67.560
Base-Backbone interact. energy: -0.820
local terms energy: -77.610328
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -243.747443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.747443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.747443 (E_RNA)
where:
Base-Base interactions energy: -162.747
where: short stacking energy: -73.835
Base-Backbone interact. energy: -0.245
local terms energy: -80.754742
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -21.429
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: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -235.457327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.457327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.457327 (E_RNA)
where:
Base-Base interactions energy: -165.565
where: short stacking energy: -73.669
Base-Backbone interact. energy: -0.005
local terms energy: -69.887028
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -21.150
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: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -235.514893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.514893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.514893 (E_RNA)
where:
Base-Base interactions energy: -170.053
where: short stacking energy: -70.198
Base-Backbone interact. energy: -0.292
local terms energy: -65.170531
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -17.108
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: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -221.388698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.388698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.388698 (E_RNA)
where:
Base-Base interactions energy: -147.444
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.001
local terms energy: -73.943754
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -17.111
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: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -232.237122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.237122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.237122 (E_RNA)
where:
Base-Base interactions energy: -159.793
where: short stacking energy: -73.918
Base-Backbone interact. energy: -0.697
local terms energy: -71.746888
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -214.185610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.185610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.185610 (E_RNA)
where:
Base-Base interactions energy: -148.604
where: short stacking energy: -64.598
Base-Backbone interact. energy: -0.599
local terms energy: -64.982381
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -14.826
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: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -216.173145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.173145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.173145 (E_RNA)
where:
Base-Base interactions energy: -155.717
where: short stacking energy: -52.524
Base-Backbone interact. energy: -0.361
local terms energy: -60.094580
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -8.681
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: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -207.865320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.865320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.865320 (E_RNA)
where:
Base-Base interactions energy: -156.485
where: short stacking energy: -64.745
Base-Backbone interact. energy: -0.022
local terms energy: -51.358657
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -6.810
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -7.350
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: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -77.737137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.737137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.737137 (E_RNA)
where:
Base-Base interactions energy: -23.776
where: short stacking energy: -23.776
Base-Backbone interact. energy: -0.011
local terms energy: -53.949624
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -238.049255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.049255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.049255 (E_RNA)
where:
Base-Base interactions energy: -171.095
where: short stacking energy: -67.235
Base-Backbone interact. energy: -0.583
local terms energy: -66.371484
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -244.909714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.909714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.909714 (E_RNA)
where:
Base-Base interactions energy: -167.154
where: short stacking energy: -78.184
Base-Backbone interact. energy: -0.810
local terms energy: -76.945368
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -20.580
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: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -233.870524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.870524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.870524 (E_RNA)
where:
Base-Base interactions energy: -161.339
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.099
local terms energy: -72.432369
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -20.131
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: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -232.793980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.793980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.793980 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -71.788
Base-Backbone interact. energy: -0.053
local terms energy: -70.400763
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -19.453
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: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -236.274961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.274961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.274961 (E_RNA)
where:
Base-Base interactions energy: -157.945
where: short stacking energy: -76.758
Base-Backbone interact. energy: -0.519
local terms energy: -77.811065
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -19.379
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: 375
Temperature: 1.150000
Total energy: -230.639534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.639534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.639534 (E_RNA)
where:
Base-Base interactions energy: -161.874
where: short stacking energy: -74.474
Base-Backbone interact. energy: -0.673
local terms energy: -68.091744
where:
bonds (distance) C4'-P energy: -7.272
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -220.153023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.153023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.153023 (E_RNA)
where:
Base-Base interactions energy: -154.637
where: short stacking energy: -72.154
Base-Backbone interact. energy: -0.134
local terms energy: -65.382032
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -8.184
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: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -218.763732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.763732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.763732 (E_RNA)
where:
Base-Base interactions energy: -155.546
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.041
local terms energy: -63.176653
where:
bonds (distance) C4'-P energy: -7.770
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -207.154351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.154351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.154351 (E_RNA)
where:
Base-Base interactions energy: -152.297
where: short stacking energy: -63.109
Base-Backbone interact. energy: 0.318
local terms energy: -55.174954
where:
bonds (distance) C4'-P energy: -6.661
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -93.148879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.148879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.148879 (E_RNA)
where:
Base-Base interactions energy: -41.717
where: short stacking energy: -31.875
Base-Backbone interact. energy: 0.068
local terms energy: -51.499691
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -5.192
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: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -240.342079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.342079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.342079 (E_RNA)
where:
Base-Base interactions energy: -169.347
where: short stacking energy: -78.425
Base-Backbone interact. energy: -0.036
local terms energy: -70.959803
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -240.170407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.170407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.170407 (E_RNA)
where:
Base-Base interactions energy: -167.747
where: short stacking energy: -72.847
Base-Backbone interact. energy: -0.766
local terms energy: -71.657728
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -18.559
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: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -233.316767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.316767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.316767 (E_RNA)
where:
Base-Base interactions energy: -161.679
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.002
local terms energy: -71.635707
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -19.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -234.461439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.461439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.461439 (E_RNA)
where:
Base-Base interactions energy: -163.241
where: short stacking energy: -74.230
Base-Backbone interact. energy: -0.006
local terms energy: -71.214497
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -227.607043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.607043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.607043 (E_RNA)
where:
Base-Base interactions energy: -165.805
where: short stacking energy: -65.570
Base-Backbone interact. energy: -0.565
local terms energy: -61.237069
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -7.550
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: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -229.455728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.455728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.455728 (E_RNA)
where:
Base-Base interactions energy: -153.887
where: short stacking energy: -72.804
Base-Backbone interact. energy: -0.086
local terms energy: -75.482682
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -230.201267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.201267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.201267 (E_RNA)
where:
Base-Base interactions energy: -157.034
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.738
local terms energy: -72.429706
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -16.882
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: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -216.986457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.986457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.986457 (E_RNA)
where:
Base-Base interactions energy: -148.809
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.026
local terms energy: -68.151580
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -17.490
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: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -201.123108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.123108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.123108 (E_RNA)
where:
Base-Base interactions energy: -140.511
where: short stacking energy: -63.820
Base-Backbone interact. energy: -0.358
local terms energy: -60.253962
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -5.897
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -83.682477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.682477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.682477 (E_RNA)
where:
Base-Base interactions energy: -41.111
where: short stacking energy: -41.111
Base-Backbone interact. energy: -0.426
local terms energy: -42.146133
where:
bonds (distance) C4'-P energy: -4.718
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -7.458
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -242.464333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.464333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.464333 (E_RNA)
where:
Base-Base interactions energy: -163.728
where: short stacking energy: -77.552
Base-Backbone interact. energy: -0.007
local terms energy: -78.729067
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -243.472637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.472637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.472637 (E_RNA)
where:
Base-Base interactions energy: -164.983
where: short stacking energy: -74.551
Base-Backbone interact. energy: -0.003
local terms energy: -78.486676
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -241.665139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.665139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.665139 (E_RNA)
where:
Base-Base interactions energy: -171.352
where: short stacking energy: -67.915
Base-Backbone interact. energy: -1.748
local terms energy: -68.565261
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -12.936
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: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -241.593903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.593903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.593903 (E_RNA)
where:
Base-Base interactions energy: -164.512
where: short stacking energy: -82.085
Base-Backbone interact. energy: -0.536
local terms energy: -76.546157
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -21.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -235.487127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.487127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.487127 (E_RNA)
where:
Base-Base interactions energy: -157.832
where: short stacking energy: -72.801
Base-Backbone interact. energy: -0.245
local terms energy: -77.409365
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -233.550124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.550124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.550124 (E_RNA)
where:
Base-Base interactions energy: -157.880
where: short stacking energy: -67.627
Base-Backbone interact. energy: -0.844
local terms energy: -74.826317
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -18.127
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: 377
Temperature: 1.200000
Total energy: -224.621970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.621970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.621970 (E_RNA)
where:
Base-Base interactions energy: -155.344
where: short stacking energy: -68.896
Base-Backbone interact. energy: -0.564
local terms energy: -68.714554
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -224.478907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.478907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.478907 (E_RNA)
where:
Base-Base interactions energy: -152.807
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.001
local terms energy: -71.670815
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -210.176562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.176562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.176562 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -66.700
Base-Backbone interact. energy: -0.261
local terms energy: -64.115116
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -8.636
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: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -80.890830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.890830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.890830 (E_RNA)
where:
Base-Base interactions energy: -35.708
where: short stacking energy: -35.708
Base-Backbone interact. energy: -0.010
local terms energy: -45.172477
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -7.534
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: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -241.433711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.433711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.433711 (E_RNA)
where:
Base-Base interactions energy: -165.723
where: short stacking energy: -80.644
Base-Backbone interact. energy: -0.005
local terms energy: -75.705584
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -241.257965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.257965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.257965 (E_RNA)
where:
Base-Base interactions energy: -163.159
where: short stacking energy: -71.498
Base-Backbone interact. energy: -0.350
local terms energy: -77.748530
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -232.536925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.536925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.536925 (E_RNA)
where:
Base-Base interactions energy: -166.376
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.063
local terms energy: -66.097496
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -10.637
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: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -239.218336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.218336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.218336 (E_RNA)
where:
Base-Base interactions energy: -170.590
where: short stacking energy: -70.131
Base-Backbone interact. energy: -0.637
local terms energy: -67.991588
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -19.283
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: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -232.701464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.701464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.701464 (E_RNA)
where:
Base-Base interactions energy: -158.830
where: short stacking energy: -76.419
Base-Backbone interact. energy: -0.812
local terms energy: -73.059320
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -21.007
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: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -226.077431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.077431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.077431 (E_RNA)
where:
Base-Base interactions energy: -154.510
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.198
local terms energy: -71.369236
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -18.602
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: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -219.054712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.054712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.054712 (E_RNA)
where:
Base-Base interactions energy: -150.233
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.018
local terms energy: -68.803224
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -20.882
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: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -221.709350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.709350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.709350 (E_RNA)
where:
Base-Base interactions energy: -156.042
where: short stacking energy: -72.520
Base-Backbone interact. energy: -0.247
local terms energy: -65.420147
where:
bonds (distance) C4'-P energy: -5.001
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -207.390703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.390703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.390703 (E_RNA)
where:
Base-Base interactions energy: -147.404
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.198
local terms energy: -59.788418
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -8.971
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: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -82.951883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.951883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.951883 (E_RNA)
where:
Base-Base interactions energy: -32.847
where: short stacking energy: -18.465
Base-Backbone interact. energy: -0.418
local terms energy: -49.687668
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: 0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -242.390045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.390045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.390045 (E_RNA)
where:
Base-Base interactions energy: -167.853
where: short stacking energy: -76.995
Base-Backbone interact. energy: -0.001
local terms energy: -74.536433
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -245.467490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.467490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.467490 (E_RNA)
where:
Base-Base interactions energy: -170.671
where: short stacking energy: -73.426
Base-Backbone interact. energy: -0.772
local terms energy: -74.024231
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -238.932624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.932624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.932624 (E_RNA)
where:
Base-Base interactions energy: -176.877
where: short stacking energy: -64.312
Base-Backbone interact. energy: -0.216
local terms energy: -61.839597
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -10.779
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -18.081
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: 379
Temperature: 1.050000
Total energy: -243.992260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.992260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.992260 (E_RNA)
where:
Base-Base interactions energy: -169.054
where: short stacking energy: -76.871
Base-Backbone interact. energy: -0.990
local terms energy: -73.948463
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -222.922089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.922089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.922089 (E_RNA)
where:
Base-Base interactions energy: -148.108
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.309
local terms energy: -74.504284
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -213.803853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.803853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.803853 (E_RNA)
where:
Base-Base interactions energy: -152.091
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.020
local terms energy: -61.692888
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -17.362
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: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -219.891630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.891630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.891630 (E_RNA)
where:
Base-Base interactions energy: -154.617
where: short stacking energy: -69.808
Base-Backbone interact. energy: -0.036
local terms energy: -65.238313
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -11.940
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: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -218.536640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.536640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.536640 (E_RNA)
where:
Base-Base interactions energy: -150.201
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.240
local terms energy: -68.096119
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -212.638394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.638394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.638394 (E_RNA)
where:
Base-Base interactions energy: -150.934
where: short stacking energy: -64.978
Base-Backbone interact. energy: 0.511
local terms energy: -62.215234
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -12.779
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: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -75.539694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.539694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.539694 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -30.944
Base-Backbone interact. energy: -0.535
local terms energy: -40.015813
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -1.560
tors. eta vs tors. theta energy: -1.339
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: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -242.433243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.433243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.433243 (E_RNA)
where:
Base-Base interactions energy: -165.211
where: short stacking energy: -69.308
Base-Backbone interact. energy: -0.023
local terms energy: -77.199105
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -18.500
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: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -243.902005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.902005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.902005 (E_RNA)
where:
Base-Base interactions energy: -166.721
where: short stacking energy: -77.048
Base-Backbone interact. energy: 0.150
local terms energy: -77.331831
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -242.931996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.931996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.931996 (E_RNA)
where:
Base-Base interactions energy: -170.799
where: short stacking energy: -73.976
Base-Backbone interact. energy: -0.017
local terms energy: -72.116499
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -232.257758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.257758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.257758 (E_RNA)
where:
Base-Base interactions energy: -163.475
where: short stacking energy: -73.186
Base-Backbone interact. energy: -0.174
local terms energy: -68.609363
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -225.837764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.837764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.837764 (E_RNA)
where:
Base-Base interactions energy: -158.996
where: short stacking energy: -72.040
Base-Backbone interact. energy: 0.138
local terms energy: -66.979716
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -18.210
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: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -221.775607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.775607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.775607 (E_RNA)
where:
Base-Base interactions energy: -155.817
where: short stacking energy: -67.281
Base-Backbone interact. energy: -0.001
local terms energy: -65.958317
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -8.048
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: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -222.491424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.491424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.491424 (E_RNA)
where:
Base-Base interactions energy: -156.577
where: short stacking energy: -72.866
Base-Backbone interact. energy: -0.575
local terms energy: -65.339450
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -8.962
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -213.327330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.327330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.327330 (E_RNA)
where:
Base-Base interactions energy: -151.668
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.008
local terms energy: -61.651773
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -9.525
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -216.659248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.659248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.659248 (E_RNA)
where:
Base-Base interactions energy: -151.911
where: short stacking energy: -59.178
Base-Backbone interact. energy: -0.673
local terms energy: -64.076179
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -8.647
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: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -72.022717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.022717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.022717 (E_RNA)
where:
Base-Base interactions energy: -27.294
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.339
local terms energy: -44.389750
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: 0.689
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: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -240.612443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.612443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.612443 (E_RNA)
where:
Base-Base interactions energy: -173.233
where: short stacking energy: -73.808
Base-Backbone interact. energy: 1.537
local terms energy: -68.916848
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -239.514371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.514371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.514371 (E_RNA)
where:
Base-Base interactions energy: -164.896
where: short stacking energy: -73.601
Base-Backbone interact. energy: -0.136
local terms energy: -74.483112
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -243.581007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.581007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.581007 (E_RNA)
where:
Base-Base interactions energy: -166.979
where: short stacking energy: -74.407
Base-Backbone interact. energy: -0.688
local terms energy: -75.913753
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -19.131
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: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -236.927803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.927803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.927803 (E_RNA)
where:
Base-Base interactions energy: -166.835
where: short stacking energy: -67.893
Base-Backbone interact. energy: 0.268
local terms energy: -70.361011
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -225.296992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.296992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.296992 (E_RNA)
where:
Base-Base interactions energy: -160.518
where: short stacking energy: -62.163
Base-Backbone interact. energy: -0.052
local terms energy: -64.726897
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.521
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: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -225.000293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.000293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.000293 (E_RNA)
where:
Base-Base interactions energy: -157.393
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.437
local terms energy: -67.170157
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -221.993429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.993429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.993429 (E_RNA)
where:
Base-Base interactions energy: -153.728
where: short stacking energy: -69.784
Base-Backbone interact. energy: -0.005
local terms energy: -68.260386
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -215.871113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871113 (E_RNA)
where:
Base-Base interactions energy: -156.544
where: short stacking energy: -69.911
Base-Backbone interact. energy: -0.270
local terms energy: -59.057178
where:
bonds (distance) C4'-P energy: -8.987
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -218.983908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.983908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.983908 (E_RNA)
where:
Base-Base interactions energy: -154.417
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.008
local terms energy: -64.558577
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -81.960119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.960119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.960119 (E_RNA)
where:
Base-Base interactions energy: -33.221
where: short stacking energy: -33.039
Base-Backbone interact. energy: -0.273
local terms energy: -48.466297
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -247.294260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.294260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.294260 (E_RNA)
where:
Base-Base interactions energy: -167.978
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.001
local terms energy: -79.315156
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -245.230473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.230473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.230473 (E_RNA)
where:
Base-Base interactions energy: -165.430
where: short stacking energy: -77.523
Base-Backbone interact. energy: -1.885
local terms energy: -77.915742
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -237.572457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.572457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.572457 (E_RNA)
where:
Base-Base interactions energy: -167.971
where: short stacking energy: -71.891
Base-Backbone interact. energy: -0.035
local terms energy: -69.566827
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -15.206
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: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -234.440029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.440029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.440029 (E_RNA)
where:
Base-Base interactions energy: -162.945
where: short stacking energy: -74.078
Base-Backbone interact. energy: -0.249
local terms energy: -71.246316
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -232.704378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.704378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.704378 (E_RNA)
where:
Base-Base interactions energy: -156.400
where: short stacking energy: -65.022
Base-Backbone interact. energy: -0.005
local terms energy: -76.299645
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -219.924236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.924236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.924236 (E_RNA)
where:
Base-Base interactions energy: -148.417
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.069
local terms energy: -71.437951
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -18.046
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: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -228.073512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.073512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.073512 (E_RNA)
where:
Base-Base interactions energy: -165.434
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.003
local terms energy: -62.637269
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -217.161571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.161571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.161571 (E_RNA)
where:
Base-Base interactions energy: -144.773
where: short stacking energy: -65.538
Base-Backbone interact. energy: 0.703
local terms energy: -73.091198
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -204.223646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.223646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.223646 (E_RNA)
where:
Base-Base interactions energy: -146.588
where: short stacking energy: -63.665
Base-Backbone interact. energy: -0.482
local terms energy: -57.153579
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -12.069
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: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -78.057180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.057180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.057180 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.073
local terms energy: -46.911620
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -244.419271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.419271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.419271 (E_RNA)
where:
Base-Base interactions energy: -173.395
where: short stacking energy: -77.399
Base-Backbone interact. energy: -0.037
local terms energy: -70.987653
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -12.093
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: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -241.084438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.084438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.084438 (E_RNA)
where:
Base-Base interactions energy: -165.885
where: short stacking energy: -76.017
Base-Backbone interact. energy: -0.005
local terms energy: -75.193559
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -19.297
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: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -242.925862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.925862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.925862 (E_RNA)
where:
Base-Base interactions energy: -165.117
where: short stacking energy: -80.544
Base-Backbone interact. energy: -1.119
local terms energy: -76.689395
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -235.333884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.333884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.333884 (E_RNA)
where:
Base-Base interactions energy: -159.901
where: short stacking energy: -75.204
Base-Backbone interact. energy: -0.631
local terms energy: -74.801788
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -228.112641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.112641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.112641 (E_RNA)
where:
Base-Base interactions energy: -162.645
where: short stacking energy: -77.240
Base-Backbone interact. energy: -0.226
local terms energy: -65.241413
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -227.057379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.057379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.057379 (E_RNA)
where:
Base-Base interactions energy: -161.087
where: short stacking energy: -68.234
Base-Backbone interact. energy: -0.345
local terms energy: -65.624693
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -216.837186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.837186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.837186 (E_RNA)
where:
Base-Base interactions energy: -154.531
where: short stacking energy: -64.781
Base-Backbone interact. energy: 0.364
local terms energy: -62.670426
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -9.100
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -10.008
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: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -220.855913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.855913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.855913 (E_RNA)
where:
Base-Base interactions energy: -158.998
where: short stacking energy: -67.589
Base-Backbone interact. energy: 0.004
local terms energy: -61.862202
where:
bonds (distance) C4'-P energy: -3.736
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -214.195343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.195343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.195343 (E_RNA)
where:
Base-Base interactions energy: -152.413
where: short stacking energy: -67.891
Base-Backbone interact. energy: -0.048
local terms energy: -61.734850
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -76.042515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.042515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.042515 (E_RNA)
where:
Base-Base interactions energy: -31.792
where: short stacking energy: -10.710
Base-Backbone interact. energy: -0.697
local terms energy: -43.553910
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -240.054151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.054151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.054151 (E_RNA)
where:
Base-Base interactions energy: -170.389
where: short stacking energy: -74.981
Base-Backbone interact. energy: -0.673
local terms energy: -68.992504
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -10.767
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: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -243.478450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.478450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.478450 (E_RNA)
where:
Base-Base interactions energy: -173.557
where: short stacking energy: -73.997
Base-Backbone interact. energy: -0.211
local terms energy: -69.711049
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -225.072152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.072152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.072152 (E_RNA)
where:
Base-Base interactions energy: -154.599
where: short stacking energy: -61.924
Base-Backbone interact. energy: -0.268
local terms energy: -70.205599
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -240.163812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.163812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.163812 (E_RNA)
where:
Base-Base interactions energy: -162.599
where: short stacking energy: -74.135
Base-Backbone interact. energy: -0.044
local terms energy: -77.520833
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -240.649554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.649554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.649554 (E_RNA)
where:
Base-Base interactions energy: -165.701
where: short stacking energy: -80.965
Base-Backbone interact. energy: -0.459
local terms energy: -74.489464
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -226.307437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.307437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.307437 (E_RNA)
where:
Base-Base interactions energy: -156.354
where: short stacking energy: -74.967
Base-Backbone interact. energy: -0.578
local terms energy: -69.375017
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -216.895973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.895973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.895973 (E_RNA)
where:
Base-Base interactions energy: -154.631
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.043
local terms energy: -62.222331
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -10.194
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: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -212.986073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.986073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.986073 (E_RNA)
where:
Base-Base interactions energy: -146.913
where: short stacking energy: -66.853
Base-Backbone interact. energy: -0.224
local terms energy: -65.848948
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -216.465535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.465535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.465535 (E_RNA)
where:
Base-Base interactions energy: -147.811
where: short stacking energy: -65.515
Base-Backbone interact. energy: -0.023
local terms energy: -68.631170
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -70.778967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.778967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.778967 (E_RNA)
where:
Base-Base interactions energy: -30.958
where: short stacking energy: -28.452
Base-Backbone interact. energy: -0.253
local terms energy: -39.567192
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: 0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -236.010808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.010808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.010808 (E_RNA)
where:
Base-Base interactions energy: -165.672
where: short stacking energy: -70.517
Base-Backbone interact. energy: -0.372
local terms energy: -69.967165
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -240.247490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.247490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.247490 (E_RNA)
where:
Base-Base interactions energy: -163.176
where: short stacking energy: -73.375
Base-Backbone interact. energy: -0.755
local terms energy: -76.316412
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -20.790
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: 385
Temperature: 1.000000
Total energy: -233.897176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.897176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.897176 (E_RNA)
where:
Base-Base interactions energy: -159.819
where: short stacking energy: -77.552
Base-Backbone interact. energy: -0.066
local terms energy: -74.011864
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -242.179257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.179257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.179257 (E_RNA)
where:
Base-Base interactions energy: -168.201
where: short stacking energy: -77.717
Base-Backbone interact. energy: -0.100
local terms energy: -73.878246
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -19.803
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: 385
Temperature: 1.100000
Total energy: -237.384941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.384941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.384941 (E_RNA)
where:
Base-Base interactions energy: -164.774
where: short stacking energy: -70.164
Base-Backbone interact. energy: -0.211
local terms energy: -72.400473
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -232.409515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.409515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.409515 (E_RNA)
where:
Base-Base interactions energy: -162.141
where: short stacking energy: -74.259
Base-Backbone interact. energy: -1.375
local terms energy: -68.892851
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -22.341
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: 385
Temperature: 1.200000
Total energy: -225.889494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.889494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.889494 (E_RNA)
where:
Base-Base interactions energy: -154.864
where: short stacking energy: -71.203
Base-Backbone interact. energy: 0.240
local terms energy: -71.265296
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -20.200
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: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -207.728871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.728871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.728871 (E_RNA)
where:
Base-Base interactions energy: -141.679
where: short stacking energy: -57.414
Base-Backbone interact. energy: 0.375
local terms energy: -66.425187
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -11.021
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: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -221.506452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.506452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.506452 (E_RNA)
where:
Base-Base interactions energy: -159.028
where: short stacking energy: -75.350
Base-Backbone interact. energy: -0.000
local terms energy: -62.478430
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -18.495
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: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -75.324501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.324501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.324501 (E_RNA)
where:
Base-Base interactions energy: -31.131
where: short stacking energy: -29.547
Base-Backbone interact. energy: -0.146
local terms energy: -44.047361
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: 0.020
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: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -245.122081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.122081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.122081 (E_RNA)
where:
Base-Base interactions energy: -171.871
where: short stacking energy: -74.839
Base-Backbone interact. energy: -0.002
local terms energy: -73.249341
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -240.891554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.891554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.891554 (E_RNA)
where:
Base-Base interactions energy: -162.880
where: short stacking energy: -73.653
Base-Backbone interact. energy: -0.002
local terms energy: -78.008828
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -21.128
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: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -241.965838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.965838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.965838 (E_RNA)
where:
Base-Base interactions energy: -169.923
where: short stacking energy: -76.490
Base-Backbone interact. energy: -1.188
local terms energy: -70.854543
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -18.249
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: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -237.715607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.715607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.715607 (E_RNA)
where:
Base-Base interactions energy: -163.531
where: short stacking energy: -74.432
Base-Backbone interact. energy: -0.001
local terms energy: -74.183508
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -12.973
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: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -235.039110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.039110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.039110 (E_RNA)
where:
Base-Base interactions energy: -165.021
where: short stacking energy: -75.554
Base-Backbone interact. energy: 0.852
local terms energy: -70.869445
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -20.178
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: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -227.097075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.097075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.097075 (E_RNA)
where:
Base-Base interactions energy: -161.126
where: short stacking energy: -72.583
Base-Backbone interact. energy: -0.583
local terms energy: -65.388136
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -13.112
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: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -220.815265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.815265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.815265 (E_RNA)
where:
Base-Base interactions energy: -151.765
where: short stacking energy: -66.263
Base-Backbone interact. energy: -0.144
local terms energy: -68.905811
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -16.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -221.278379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.278379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.278379 (E_RNA)
where:
Base-Base interactions energy: -152.679
where: short stacking energy: -59.445
Base-Backbone interact. energy: -0.036
local terms energy: -68.562459
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -84.073289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.073289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.073289 (E_RNA)
where:
Base-Base interactions energy: -29.004
where: short stacking energy: -28.837
Base-Backbone interact. energy: -0.113
local terms energy: -54.956497
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -212.536081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.536081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.536081 (E_RNA)
where:
Base-Base interactions energy: -146.179
where: short stacking energy: -67.940
Base-Backbone interact. energy: -0.601
local terms energy: -65.756032
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -15.337
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: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -246.340958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.340958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.340958 (E_RNA)
where:
Base-Base interactions energy: -170.105
where: short stacking energy: -77.852
Base-Backbone interact. energy: -0.170
local terms energy: -76.066177
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -19.157
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: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -240.812675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.812675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.812675 (E_RNA)
where:
Base-Base interactions energy: -158.656
where: short stacking energy: -69.155
Base-Backbone interact. energy: -0.587
local terms energy: -81.569131
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -247.578580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.578580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.578580 (E_RNA)
where:
Base-Base interactions energy: -164.954
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.000
local terms energy: -82.623888
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -19.997
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: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -230.046977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.046977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.046977 (E_RNA)
where:
Base-Base interactions energy: -156.826
where: short stacking energy: -71.574
Base-Backbone interact. energy: -0.033
local terms energy: -73.187811
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -231.715920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.715920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.715920 (E_RNA)
where:
Base-Base interactions energy: -160.663
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.003
local terms energy: -71.049983
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -222.909738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.909738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.909738 (E_RNA)
where:
Base-Base interactions energy: -160.570
where: short stacking energy: -73.826
Base-Backbone interact. energy: -0.002
local terms energy: -62.338270
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -7.679
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -224.012206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.012206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.012206 (E_RNA)
where:
Base-Base interactions energy: -155.737
where: short stacking energy: -71.628
Base-Backbone interact. energy: -0.021
local terms energy: -68.254079
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -207.081810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.081810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.081810 (E_RNA)
where:
Base-Base interactions energy: -140.585
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.024
local terms energy: -66.473538
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -13.345
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: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -88.051707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.051707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.051707 (E_RNA)
where:
Base-Base interactions energy: -42.810
where: short stacking energy: -42.810
Base-Backbone interact. energy: -0.014
local terms energy: -45.227692
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: 0.381
tors. eta vs tors. theta energy: -7.863
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: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -210.833357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.833357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.833357 (E_RNA)
where:
Base-Base interactions energy: -149.652
where: short stacking energy: -67.396
Base-Backbone interact. energy: 0.285
local terms energy: -61.466048
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -8.633
flat angles P-C4'-P energy: -8.049
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: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -247.331841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.331841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.331841 (E_RNA)
where:
Base-Base interactions energy: -170.119
where: short stacking energy: -73.207
Base-Backbone interact. energy: -1.671
local terms energy: -75.541961
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -20.801
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: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -244.250332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.250332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.250332 (E_RNA)
where:
Base-Base interactions energy: -171.143
where: short stacking energy: -81.001
Base-Backbone interact. energy: -0.041
local terms energy: -73.066686
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -241.745108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.745108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.745108 (E_RNA)
where:
Base-Base interactions energy: -169.508
where: short stacking energy: -77.660
Base-Backbone interact. energy: -0.002
local terms energy: -72.235265
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -21.422
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: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -230.842500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.842500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.842500 (E_RNA)
where:
Base-Base interactions energy: -155.953
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.010
local terms energy: -74.879059
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -219.402853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.402853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.402853 (E_RNA)
where:
Base-Base interactions energy: -158.724
where: short stacking energy: -74.344
Base-Backbone interact. energy: -0.060
local terms energy: -60.618531
where:
bonds (distance) C4'-P energy: -3.529
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -19.055
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: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -229.712982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.712982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.712982 (E_RNA)
where:
Base-Base interactions energy: -153.109
where: short stacking energy: -70.349
Base-Backbone interact. energy: -0.529
local terms energy: -76.074875
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -214.810618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.810618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.810618 (E_RNA)
where:
Base-Base interactions energy: -147.894
where: short stacking energy: -60.271
Base-Backbone interact. energy: -0.017
local terms energy: -66.900177
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.342
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: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -214.838117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.838117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.838117 (E_RNA)
where:
Base-Base interactions energy: -151.417
where: short stacking energy: -64.101
Base-Backbone interact. energy: -0.002
local terms energy: -63.419542
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -6.349
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: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -207.341423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.341423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.341423 (E_RNA)
where:
Base-Base interactions energy: -151.366
where: short stacking energy: -68.234
Base-Backbone interact. energy: -0.009
local terms energy: -55.966491
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -8.972
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -8.238
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: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -86.157134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.157134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.157134 (E_RNA)
where:
Base-Base interactions energy: -35.224
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.079
local terms energy: -50.854059
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -241.165875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.165875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.165875 (E_RNA)
where:
Base-Base interactions energy: -159.877
where: short stacking energy: -74.366
Base-Backbone interact. energy: -0.004
local terms energy: -81.285282
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -243.875002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.875002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.875002 (E_RNA)
where:
Base-Base interactions energy: -166.111
where: short stacking energy: -72.909
Base-Backbone interact. energy: -1.699
local terms energy: -76.064841
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -20.808
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: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -240.663129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.663129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.663129 (E_RNA)
where:
Base-Base interactions energy: -163.425
where: short stacking energy: -78.109
Base-Backbone interact. energy: -0.378
local terms energy: -76.861027
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -22.900
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: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -239.559817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.559817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.559817 (E_RNA)
where:
Base-Base interactions energy: -164.058
where: short stacking energy: -77.068
Base-Backbone interact. energy: -1.308
local terms energy: -74.193714
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -235.500230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.500230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.500230 (E_RNA)
where:
Base-Base interactions energy: -161.888
where: short stacking energy: -65.439
Base-Backbone interact. energy: 0.368
local terms energy: -73.980247
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -16.491
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: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -231.999421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.999421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.999421 (E_RNA)
where:
Base-Base interactions energy: -156.986
where: short stacking energy: -72.123
Base-Backbone interact. energy: -0.446
local terms energy: -74.567132
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -212.294348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.294348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.294348 (E_RNA)
where:
Base-Base interactions energy: -150.695
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.047
local terms energy: -61.552652
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -218.523949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.523949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.523949 (E_RNA)
where:
Base-Base interactions energy: -157.564
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.002
local terms energy: -60.958191
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -7.871
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -16.960
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: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -200.546610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.546610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.546610 (E_RNA)
where:
Base-Base interactions energy: -143.623
where: short stacking energy: -62.364
Base-Backbone interact. energy: -0.495
local terms energy: -56.428606
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -14.173
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: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -91.570581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.570581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.570581 (E_RNA)
where:
Base-Base interactions energy: -43.519
where: short stacking energy: -43.519
Base-Backbone interact. energy: -0.012
local terms energy: -48.039460
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -242.371284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.371284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.371284 (E_RNA)
where:
Base-Base interactions energy: -167.015
where: short stacking energy: -72.711
Base-Backbone interact. energy: -0.029
local terms energy: -75.326973
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -240.605083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.605083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.605083 (E_RNA)
where:
Base-Base interactions energy: -163.907
where: short stacking energy: -77.356
Base-Backbone interact. energy: -0.603
local terms energy: -76.095051
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -20.016
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: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -240.936748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.936748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.936748 (E_RNA)
where:
Base-Base interactions energy: -163.654
where: short stacking energy: -80.358
Base-Backbone interact. energy: 0.069
local terms energy: -77.352477
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -21.776
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: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -235.423550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.423550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.423550 (E_RNA)
where:
Base-Base interactions energy: -166.037
where: short stacking energy: -70.615
Base-Backbone interact. energy: 0.577
local terms energy: -69.963401
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -230.814517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.814517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.814517 (E_RNA)
where:
Base-Base interactions energy: -151.603
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.431
local terms energy: -78.780964
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -20.595
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: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -226.390014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.390014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.390014 (E_RNA)
where:
Base-Base interactions energy: -159.066
where: short stacking energy: -68.185
Base-Backbone interact. energy: -0.006
local terms energy: -67.317439
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -7.017
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: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -235.942012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.942012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.942012 (E_RNA)
where:
Base-Base interactions energy: -164.031
where: short stacking energy: -74.053
Base-Backbone interact. energy: -0.003
local terms energy: -71.908302
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -19.667
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: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -222.423976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.423976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.423976 (E_RNA)
where:
Base-Base interactions energy: -162.446
where: short stacking energy: -76.007
Base-Backbone interact. energy: -0.017
local terms energy: -59.960678
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -211.646608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.646608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.646608 (E_RNA)
where:
Base-Base interactions energy: -145.798
where: short stacking energy: -65.267
Base-Backbone interact. energy: -0.934
local terms energy: -64.914917
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -18.127
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: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -77.443577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.443577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.443577 (E_RNA)
where:
Base-Base interactions energy: -27.774
where: short stacking energy: -24.657
Base-Backbone interact. energy: -1.453
local terms energy: -48.215860
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -6.313
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: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -245.710240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.710240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.710240 (E_RNA)
where:
Base-Base interactions energy: -169.040
where: short stacking energy: -74.901
Base-Backbone interact. energy: -0.000
local terms energy: -76.670379
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -241.460167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.460167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.460167 (E_RNA)
where:
Base-Base interactions energy: -167.672
where: short stacking energy: -68.052
Base-Backbone interact. energy: -0.064
local terms energy: -73.724171
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -11.293
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: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -239.827978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.827978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.827978 (E_RNA)
where:
Base-Base interactions energy: -169.572
where: short stacking energy: -80.241
Base-Backbone interact. energy: -0.001
local terms energy: -70.255534
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -241.529897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.529897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.529897 (E_RNA)
where:
Base-Base interactions energy: -167.026
where: short stacking energy: -77.709
Base-Backbone interact. energy: -0.281
local terms energy: -74.223495
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -21.792
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: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -230.144588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.144588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.144588 (E_RNA)
where:
Base-Base interactions energy: -157.878
where: short stacking energy: -79.970
Base-Backbone interact. energy: -0.221
local terms energy: -72.046079
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -10.105
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -221.579528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.579528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.579528 (E_RNA)
where:
Base-Base interactions energy: -153.800
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.144
local terms energy: -67.635174
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -12.086
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: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -217.671746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.671746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.671746 (E_RNA)
where:
Base-Base interactions energy: -154.137
where: short stacking energy: -63.538
Base-Backbone interact. energy: -0.160
local terms energy: -63.374702
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -7.171
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: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -204.283298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.283298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.283298 (E_RNA)
where:
Base-Base interactions energy: -141.922
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.104
local terms energy: -62.257283
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -11.541
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: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -201.879921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.879921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.879921 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -58.259
Base-Backbone interact. energy: -1.405
local terms energy: -60.166072
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -13.345
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: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -102.810482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.810482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.810482 (E_RNA)
where:
Base-Base interactions energy: -44.304
where: short stacking energy: -44.304
Base-Backbone interact. energy: -0.001
local terms energy: -58.505077
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -250.063385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.063385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.063385 (E_RNA)
where:
Base-Base interactions energy: -171.146
where: short stacking energy: -80.045
Base-Backbone interact. energy: -0.157
local terms energy: -78.760260
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -241.215340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.215340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.215340 (E_RNA)
where:
Base-Base interactions energy: -167.460
where: short stacking energy: -81.129
Base-Backbone interact. energy: -1.258
local terms energy: -72.497276
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -237.592565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.592565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.592565 (E_RNA)
where:
Base-Base interactions energy: -162.682
where: short stacking energy: -72.495
Base-Backbone interact. energy: -0.000
local terms energy: -74.910483
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -22.992
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: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -235.949999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.949999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.949999 (E_RNA)
where:
Base-Base interactions energy: -165.409
where: short stacking energy: -65.101
Base-Backbone interact. energy: -0.502
local terms energy: -70.039390
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -19.413
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: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -237.245627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.245627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.245627 (E_RNA)
where:
Base-Base interactions energy: -163.867
where: short stacking energy: -79.387
Base-Backbone interact. energy: 0.005
local terms energy: -73.383295
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -19.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -218.906951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.906951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.906951 (E_RNA)
where:
Base-Base interactions energy: -148.247
where: short stacking energy: -64.446
Base-Backbone interact. energy: -0.001
local terms energy: -70.658311
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -213.253754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.253754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.253754 (E_RNA)
where:
Base-Base interactions energy: -153.881
where: short stacking energy: -60.970
Base-Backbone interact. energy: -0.226
local terms energy: -59.147143
where:
bonds (distance) C4'-P energy: -5.725
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -211.428965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.428965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.428965 (E_RNA)
where:
Base-Base interactions energy: -145.227
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.308
local terms energy: -65.893895
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -8.401
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: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -218.720102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.720102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.720102 (E_RNA)
where:
Base-Base interactions energy: -158.396
where: short stacking energy: -67.127
Base-Backbone interact. energy: -0.002
local terms energy: -60.322613
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -5.866
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: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -73.538170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.538170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.538170 (E_RNA)
where:
Base-Base interactions energy: -23.366
where: short stacking energy: -23.366
Base-Backbone interact. energy: -0.117
local terms energy: -50.055429
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -2.047
tors. eta vs tors. theta energy: -6.179
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: 393
Temperature: 0.900000
Total energy: -247.013622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.013622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.013622 (E_RNA)
where:
Base-Base interactions energy: -169.501
where: short stacking energy: -79.306
Base-Backbone interact. energy: -1.119
local terms energy: -76.393012
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -22.381
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: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -243.202638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.202638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.202638 (E_RNA)
where:
Base-Base interactions energy: -168.240
where: short stacking energy: -72.310
Base-Backbone interact. energy: -0.677
local terms energy: -74.285535
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -20.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -236.684922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.684922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.684922 (E_RNA)
where:
Base-Base interactions energy: -171.698
where: short stacking energy: -69.500
Base-Backbone interact. energy: -0.589
local terms energy: -64.398010
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -236.089996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.089996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.089996 (E_RNA)
where:
Base-Base interactions energy: -161.264
where: short stacking energy: -66.119
Base-Backbone interact. energy: 1.267
local terms energy: -76.092925
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -238.272316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.272316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.272316 (E_RNA)
where:
Base-Base interactions energy: -166.714
where: short stacking energy: -77.550
Base-Backbone interact. energy: -0.017
local terms energy: -71.541094
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -22.347
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: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -222.142008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142008 (E_RNA)
where:
Base-Base interactions energy: -152.777
where: short stacking energy: -67.945
Base-Backbone interact. energy: -0.001
local terms energy: -69.364058
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -17.115
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: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -221.828942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.828942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.828942 (E_RNA)
where:
Base-Base interactions energy: -151.816
where: short stacking energy: -66.593
Base-Backbone interact. energy: -0.169
local terms energy: -69.843808
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -14.670
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: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -224.668636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.668636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.668636 (E_RNA)
where:
Base-Base interactions energy: -163.075
where: short stacking energy: -70.857
Base-Backbone interact. energy: -0.021
local terms energy: -61.573185
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -17.810
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: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -216.844375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.844375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.844375 (E_RNA)
where:
Base-Base interactions energy: -154.661
where: short stacking energy: -76.849
Base-Backbone interact. energy: -0.178
local terms energy: -62.005005
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -6.729
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -69.603617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.603617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.603617 (E_RNA)
where:
Base-Base interactions energy: -24.756
where: short stacking energy: -23.175
Base-Backbone interact. energy: -0.020
local terms energy: -44.827782
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: 2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -247.012574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.012574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.012574 (E_RNA)
where:
Base-Base interactions energy: -174.664
where: short stacking energy: -74.893
Base-Backbone interact. energy: -0.242
local terms energy: -72.105735
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -19.029
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: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -244.947509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.947509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.947509 (E_RNA)
where:
Base-Base interactions energy: -167.512
where: short stacking energy: -75.113
Base-Backbone interact. energy: -2.238
local terms energy: -75.197299
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -243.631417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.631417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.631417 (E_RNA)
where:
Base-Base interactions energy: -167.674
where: short stacking energy: -74.011
Base-Backbone interact. energy: -0.005
local terms energy: -75.952176
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -20.566
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: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -235.536589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.536589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.536589 (E_RNA)
where:
Base-Base interactions energy: -162.692
where: short stacking energy: -77.960
Base-Backbone interact. energy: -0.041
local terms energy: -72.803664
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -239.209914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.209914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.209914 (E_RNA)
where:
Base-Base interactions energy: -166.015
where: short stacking energy: -66.771
Base-Backbone interact. energy: -0.057
local terms energy: -73.137436
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -233.362114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.362114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.362114 (E_RNA)
where:
Base-Base interactions energy: -160.981
where: short stacking energy: -77.737
Base-Backbone interact. energy: -0.048
local terms energy: -72.332921
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -221.818824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.818824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.818824 (E_RNA)
where:
Base-Base interactions energy: -147.663
where: short stacking energy: -66.215
Base-Backbone interact. energy: -0.303
local terms energy: -73.853157
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -213.165007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.165007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.165007 (E_RNA)
where:
Base-Base interactions energy: -155.341
where: short stacking energy: -60.193
Base-Backbone interact. energy: -0.281
local terms energy: -57.543014
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -217.335190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.335190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.335190 (E_RNA)
where:
Base-Base interactions energy: -154.470
where: short stacking energy: -74.905
Base-Backbone interact. energy: 0.041
local terms energy: -62.905281
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -80.341035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.341035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.341035 (E_RNA)
where:
Base-Base interactions energy: -36.207
where: short stacking energy: -36.204
Base-Backbone interact. energy: -0.214
local terms energy: -43.920402
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -7.699
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: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -244.693021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.693021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.693021 (E_RNA)
where:
Base-Base interactions energy: -171.693
where: short stacking energy: -69.706
Base-Backbone interact. energy: -0.116
local terms energy: -72.883410
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.547
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: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -243.610406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.610406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.610406 (E_RNA)
where:
Base-Base interactions energy: -168.074
where: short stacking energy: -79.094
Base-Backbone interact. energy: -0.042
local terms energy: -75.494383
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -12.456
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: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -240.427479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.427479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.427479 (E_RNA)
where:
Base-Base interactions energy: -172.680
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.086
local terms energy: -67.660876
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -20.655
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: 395
Temperature: 1.050000
Total energy: -236.707231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.707231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.707231 (E_RNA)
where:
Base-Base interactions energy: -162.748
where: short stacking energy: -75.417
Base-Backbone interact. energy: -0.013
local terms energy: -73.946099
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -18.627
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: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -237.068251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.068251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.068251 (E_RNA)
where:
Base-Base interactions energy: -165.080
where: short stacking energy: -71.109
Base-Backbone interact. energy: -0.413
local terms energy: -71.575449
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -219.845533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.845533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.845533 (E_RNA)
where:
Base-Base interactions energy: -154.444
where: short stacking energy: -64.700
Base-Backbone interact. energy: 1.701
local terms energy: -67.102941
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -228.551998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.551998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.551998 (E_RNA)
where:
Base-Base interactions energy: -164.306
where: short stacking energy: -69.121
Base-Backbone interact. energy: -0.059
local terms energy: -64.186699
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -13.180
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: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -215.931111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.931111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.931111 (E_RNA)
where:
Base-Base interactions energy: -151.671
where: short stacking energy: -57.183
Base-Backbone interact. energy: -0.050
local terms energy: -64.210447
where:
bonds (distance) C4'-P energy: -7.152
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -199.803224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.803224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.803224 (E_RNA)
where:
Base-Base interactions energy: -142.301
where: short stacking energy: -57.093
Base-Backbone interact. energy: 1.577
local terms energy: -59.079462
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -13.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -85.780291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.780291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.780291 (E_RNA)
where:
Base-Base interactions energy: -33.998
where: short stacking energy: -31.490
Base-Backbone interact. energy: -0.123
local terms energy: -51.659192
where:
bonds (distance) C4'-P energy: -7.829
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -246.729573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.729573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.729573 (E_RNA)
where:
Base-Base interactions energy: -168.407
where: short stacking energy: -81.474
Base-Backbone interact. energy: -0.006
local terms energy: -78.316573
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -20.537
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: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -244.526193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.526193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.526193 (E_RNA)
where:
Base-Base interactions energy: -168.426
where: short stacking energy: -75.429
Base-Backbone interact. energy: -0.000
local terms energy: -76.100286
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -244.255920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.255920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.255920 (E_RNA)
where:
Base-Base interactions energy: -171.055
where: short stacking energy: -71.596
Base-Backbone interact. energy: -0.097
local terms energy: -73.104005
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -19.928
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: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -237.773326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.773326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.773326 (E_RNA)
where:
Base-Base interactions energy: -178.412
where: short stacking energy: -74.876
Base-Backbone interact. energy: -0.079
local terms energy: -59.281802
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -229.759639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.759639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.759639 (E_RNA)
where:
Base-Base interactions energy: -159.316
where: short stacking energy: -74.036
Base-Backbone interact. energy: -0.295
local terms energy: -70.149288
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -213.878612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.878612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.878612 (E_RNA)
where:
Base-Base interactions energy: -145.715
where: short stacking energy: -61.572
Base-Backbone interact. energy: -1.297
local terms energy: -66.866593
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -14.598
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: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -217.775468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.775468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.775468 (E_RNA)
where:
Base-Base interactions energy: -147.971
where: short stacking energy: -68.742
Base-Backbone interact. energy: -0.001
local terms energy: -69.803309
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -216.634335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.634335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.634335 (E_RNA)
where:
Base-Base interactions energy: -146.558
where: short stacking energy: -62.674
Base-Backbone interact. energy: -1.237
local terms energy: -68.840076
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -209.038863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.038863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.038863 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -59.800
Base-Backbone interact. energy: -0.418
local terms energy: -66.618220
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -12.263
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: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -83.979485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.979485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.979485 (E_RNA)
where:
Base-Base interactions energy: -26.800
where: short stacking energy: -26.067
Base-Backbone interact. energy: -0.020
local terms energy: -57.159975
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -245.359072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.359072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.359072 (E_RNA)
where:
Base-Base interactions energy: -169.996
where: short stacking energy: -83.947
Base-Backbone interact. energy: -0.008
local terms energy: -75.354273
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -239.077895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.077895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.077895 (E_RNA)
where:
Base-Base interactions energy: -161.688
where: short stacking energy: -72.436
Base-Backbone interact. energy: -0.001
local terms energy: -77.389274
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -241.320768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.320768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.320768 (E_RNA)
where:
Base-Base interactions energy: -168.118
where: short stacking energy: -73.250
Base-Backbone interact. energy: -1.356
local terms energy: -71.846885
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -20.033
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: 397
Temperature: 1.050000
Total energy: -223.455166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.455166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.455166 (E_RNA)
where:
Base-Base interactions energy: -155.478
where: short stacking energy: -69.528
Base-Backbone interact. energy: 0.606
local terms energy: -68.583451
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -234.812365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.812365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.812365 (E_RNA)
where:
Base-Base interactions energy: -162.274
where: short stacking energy: -69.959
Base-Backbone interact. energy: -1.370
local terms energy: -71.168381
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -216.178343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.178343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.178343 (E_RNA)
where:
Base-Base interactions energy: -148.681
where: short stacking energy: -61.804
Base-Backbone interact. energy: -0.637
local terms energy: -66.860639
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -11.207
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: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -225.926641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.926641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.926641 (E_RNA)
where:
Base-Base interactions energy: -154.283
where: short stacking energy: -72.139
Base-Backbone interact. energy: -0.002
local terms energy: -71.641091
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -213.757498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.757498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.757498 (E_RNA)
where:
Base-Base interactions energy: -137.150
where: short stacking energy: -63.527
Base-Backbone interact. energy: -0.292
local terms energy: -76.315949
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -206.731180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.731180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.731180 (E_RNA)
where:
Base-Base interactions energy: -142.778
where: short stacking energy: -61.746
Base-Backbone interact. energy: -0.123
local terms energy: -63.829565
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -73.553486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.553486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.553486 (E_RNA)
where:
Base-Base interactions energy: -28.114
where: short stacking energy: -28.114
Base-Backbone interact. energy: -1.801
local terms energy: -43.639035
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -0.784
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: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -243.209720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.209720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.209720 (E_RNA)
where:
Base-Base interactions energy: -161.178
where: short stacking energy: -76.298
Base-Backbone interact. energy: -0.867
local terms energy: -81.165282
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -238.895966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.895966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.895966 (E_RNA)
where:
Base-Base interactions energy: -171.823
where: short stacking energy: -75.295
Base-Backbone interact. energy: -0.052
local terms energy: -67.021218
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -18.942
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: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -231.823172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.823172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.823172 (E_RNA)
where:
Base-Base interactions energy: -160.921
where: short stacking energy: -69.614
Base-Backbone interact. energy: -1.335
local terms energy: -69.566585
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -18.762
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: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -225.221680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.221680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.221680 (E_RNA)
where:
Base-Base interactions energy: -161.497
where: short stacking energy: -63.590
Base-Backbone interact. energy: -0.074
local terms energy: -63.650834
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -230.803500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.803500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.803500 (E_RNA)
where:
Base-Base interactions energy: -152.214
where: short stacking energy: -70.156
Base-Backbone interact. energy: -0.588
local terms energy: -78.001445
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -21.249
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: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -233.386821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.386821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.386821 (E_RNA)
where:
Base-Base interactions energy: -159.593
where: short stacking energy: -72.634
Base-Backbone interact. energy: 0.270
local terms energy: -74.063420
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -229.633629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.633629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.633629 (E_RNA)
where:
Base-Base interactions energy: -162.420
where: short stacking energy: -74.695
Base-Backbone interact. energy: -0.007
local terms energy: -67.206591
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -224.103926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.103926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.103926 (E_RNA)
where:
Base-Base interactions energy: -152.989
where: short stacking energy: -68.390
Base-Backbone interact. energy: -0.606
local terms energy: -70.508502
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -22.038
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: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -214.411417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.411417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.411417 (E_RNA)
where:
Base-Base interactions energy: -142.389
where: short stacking energy: -56.832
Base-Backbone interact. energy: -0.020
local terms energy: -72.003003
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -71.311366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.311366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.311366 (E_RNA)
where:
Base-Base interactions energy: -27.256
where: short stacking energy: -27.256
Base-Backbone interact. energy: -0.105
local terms energy: -43.949821
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -7.688
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -3.231
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: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -248.589418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.589418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.589418 (E_RNA)
where:
Base-Base interactions energy: -174.999
where: short stacking energy: -73.922
Base-Backbone interact. energy: -0.002
local terms energy: -73.587904
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.222
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: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -240.395925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.395925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.395925 (E_RNA)
where:
Base-Base interactions energy: -170.989
where: short stacking energy: -78.805
Base-Backbone interact. energy: -0.348
local terms energy: -69.058221
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -18.117
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: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -246.014149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.014149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.014149 (E_RNA)
where:
Base-Base interactions energy: -167.998
where: short stacking energy: -82.160
Base-Backbone interact. energy: -0.045
local terms energy: -77.970510
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -22.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -230.665405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.665405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.665405 (E_RNA)
where:
Base-Base interactions energy: -160.037
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.303
local terms energy: -70.326154
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -11.372
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: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -227.009146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.009146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.009146 (E_RNA)
where:
Base-Base interactions energy: -160.844
where: short stacking energy: -69.852
Base-Backbone interact. energy: -0.409
local terms energy: -65.756698
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -231.490767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.490767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.490767 (E_RNA)
where:
Base-Base interactions energy: -155.674
where: short stacking energy: -67.381
Base-Backbone interact. energy: -0.102
local terms energy: -75.715042
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -20.612
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: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -226.498815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.498815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.498815 (E_RNA)
where:
Base-Base interactions energy: -150.635
where: short stacking energy: -71.334
Base-Backbone interact. energy: -0.207
local terms energy: -75.656705
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -20.280
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: 399
Temperature: 1.250000
Total energy: -216.960219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.960219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.960219 (E_RNA)
where:
Base-Base interactions energy: -157.687
where: short stacking energy: -63.644
Base-Backbone interact. energy: -0.615
local terms energy: -58.658046
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -8.761
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -17.404
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: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -206.987436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.987436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.987436 (E_RNA)
where:
Base-Base interactions energy: -149.465
where: short stacking energy: -65.952
Base-Backbone interact. energy: -0.000
local terms energy: -57.522169
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -77.785510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.785510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.785510 (E_RNA)
where:
Base-Base interactions energy: -27.983
where: short stacking energy: -22.075
Base-Backbone interact. energy: -0.155
local terms energy: -49.647838
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -244.303940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.303940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.303940 (E_RNA)
where:
Base-Base interactions energy: -169.513
where: short stacking energy: -81.515
Base-Backbone interact. energy: -0.000
local terms energy: -74.791305
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -242.308049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.308049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.308049 (E_RNA)
where:
Base-Base interactions energy: -167.033
where: short stacking energy: -64.869
Base-Backbone interact. energy: -0.009
local terms energy: -75.265313
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -249.685219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.685219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.685219 (E_RNA)
where:
Base-Base interactions energy: -169.919
where: short stacking energy: -74.433
Base-Backbone interact. energy: -0.004
local terms energy: -79.762561
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -19.496
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: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -223.557077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.557077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.557077 (E_RNA)
where:
Base-Base interactions energy: -156.076
where: short stacking energy: -64.864
Base-Backbone interact. energy: -0.401
local terms energy: -67.080183
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -13.742
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: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -227.997466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.997466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.997466 (E_RNA)
where:
Base-Base interactions energy: -166.399
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.032
local terms energy: -61.566665
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -9.619
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: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -204.162665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.162665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.162665 (E_RNA)
where:
Base-Base interactions energy: -137.849
where: short stacking energy: -61.805
Base-Backbone interact. energy: -0.094
local terms energy: -66.219084
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -17.642
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: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -213.683086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.683086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.683086 (E_RNA)
where:
Base-Base interactions energy: -155.630
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.046
local terms energy: -58.007429
where:
bonds (distance) C4'-P energy: -5.540
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -11.499
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: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -211.813201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.813201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.813201 (E_RNA)
where:
Base-Base interactions energy: -151.191
where: short stacking energy: -71.055
Base-Backbone interact. energy: -0.306
local terms energy: -60.315292
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -204.625308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.625308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.625308 (E_RNA)
where:
Base-Base interactions energy: -138.095
where: short stacking energy: -58.752
Base-Backbone interact. energy: -0.488
local terms energy: -66.042127
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -14.011
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: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -76.360172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.360172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.360172 (E_RNA)
where:
Base-Base interactions energy: -29.928
where: short stacking energy: -23.420
Base-Backbone interact. energy: -0.356
local terms energy: -46.076141
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -2.312
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: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -244.694398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.694398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.694398 (E_RNA)
where:
Base-Base interactions energy: -167.703
where: short stacking energy: -70.258
Base-Backbone interact. energy: -0.025
local terms energy: -76.966578
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -10.760
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: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -239.652121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.652121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.652121 (E_RNA)
where:
Base-Base interactions energy: -165.524
where: short stacking energy: -70.754
Base-Backbone interact. energy: -0.020
local terms energy: -74.107796
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -11.859
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: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -232.509411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.509411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.509411 (E_RNA)
where:
Base-Base interactions energy: -165.494
where: short stacking energy: -70.974
Base-Backbone interact. energy: -0.368
local terms energy: -66.647406
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -17.842
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: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -237.011346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.011346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.011346 (E_RNA)
where:
Base-Base interactions energy: -167.617
where: short stacking energy: -66.322
Base-Backbone interact. energy: -0.074
local terms energy: -69.320317
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -18.173
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: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -233.594320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.594320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.594320 (E_RNA)
where:
Base-Base interactions energy: -165.512
where: short stacking energy: -73.677
Base-Backbone interact. energy: -0.000
local terms energy: -68.082609
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -223.767977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.767977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.767977 (E_RNA)
where:
Base-Base interactions energy: -152.106
where: short stacking energy: -71.058
Base-Backbone interact. energy: -0.633
local terms energy: -71.028797
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -20.844
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: 401
Temperature: 1.200000
Total energy: -218.123765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.123765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.123765 (E_RNA)
where:
Base-Base interactions energy: -150.310
where: short stacking energy: -63.219
Base-Backbone interact. energy: -0.426
local terms energy: -67.387863
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -12.584
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: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -222.304959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.304959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.304959 (E_RNA)
where:
Base-Base interactions energy: -150.556
where: short stacking energy: -65.817
Base-Backbone interact. energy: -0.759
local terms energy: -70.990481
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -204.502241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.502241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.502241 (E_RNA)
where:
Base-Base interactions energy: -145.692
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.260
local terms energy: -58.550844
where:
bonds (distance) C4'-P energy: -7.473
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -10.178
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: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -85.104072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.104072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.104072 (E_RNA)
where:
Base-Base interactions energy: -32.683
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.029
local terms energy: -52.392320
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -6.615
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: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -245.680810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.680810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.680810 (E_RNA)
where:
Base-Base interactions energy: -168.450
where: short stacking energy: -80.530
Base-Backbone interact. energy: -0.004
local terms energy: -77.226791
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -245.137876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.137876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.137876 (E_RNA)
where:
Base-Base interactions energy: -164.491
where: short stacking energy: -79.322
Base-Backbone interact. energy: -0.295
local terms energy: -80.352248
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -239.212612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.212612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.212612 (E_RNA)
where:
Base-Base interactions energy: -168.153
where: short stacking energy: -72.085
Base-Backbone interact. energy: -0.002
local terms energy: -71.057670
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -230.798387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.798387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.798387 (E_RNA)
where:
Base-Base interactions energy: -156.444
where: short stacking energy: -73.479
Base-Backbone interact. energy: 0.276
local terms energy: -74.631343
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -230.401982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.401982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.401982 (E_RNA)
where:
Base-Base interactions energy: -162.003
where: short stacking energy: -75.164
Base-Backbone interact. energy: -1.517
local terms energy: -66.881660
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -17.404
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: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -212.686440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.686440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.686440 (E_RNA)
where:
Base-Base interactions energy: -152.977
where: short stacking energy: -63.363
Base-Backbone interact. energy: -0.127
local terms energy: -59.581977
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -9.895
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: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -214.728754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.728754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.728754 (E_RNA)
where:
Base-Base interactions energy: -149.327
where: short stacking energy: -70.151
Base-Backbone interact. energy: -0.191
local terms energy: -65.210123
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -7.877
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: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -208.697030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.697030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.697030 (E_RNA)
where:
Base-Base interactions energy: -143.727
where: short stacking energy: -62.701
Base-Backbone interact. energy: -0.028
local terms energy: -64.942488
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -198.985731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.985731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.985731 (E_RNA)
where:
Base-Base interactions energy: -141.508
where: short stacking energy: -54.603
Base-Backbone interact. energy: 1.598
local terms energy: -59.075979
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -10.139
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: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -78.604796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.604796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.604796 (E_RNA)
where:
Base-Base interactions energy: -27.711
where: short stacking energy: -23.933
Base-Backbone interact. energy: -0.049
local terms energy: -50.844430
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -247.099349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.099349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.099349 (E_RNA)
where:
Base-Base interactions energy: -170.145
where: short stacking energy: -78.185
Base-Backbone interact. energy: -0.127
local terms energy: -76.827455
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -243.987056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.987056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.987056 (E_RNA)
where:
Base-Base interactions energy: -177.055
where: short stacking energy: -74.408
Base-Backbone interact. energy: -0.158
local terms energy: -66.774020
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -243.084097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.084097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.084097 (E_RNA)
where:
Base-Base interactions energy: -173.153
where: short stacking energy: -71.916
Base-Backbone interact. energy: 0.031
local terms energy: -69.961918
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.977
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: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -239.082359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.082359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.082359 (E_RNA)
where:
Base-Base interactions energy: -169.554
where: short stacking energy: -75.716
Base-Backbone interact. energy: -0.002
local terms energy: -69.526948
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.923
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: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -238.076755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.076755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.076755 (E_RNA)
where:
Base-Base interactions energy: -167.794
where: short stacking energy: -75.997
Base-Backbone interact. energy: -0.369
local terms energy: -69.913911
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -227.935351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.935351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.935351 (E_RNA)
where:
Base-Base interactions energy: -161.009
where: short stacking energy: -76.858
Base-Backbone interact. energy: -0.082
local terms energy: -66.844591
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -21.087
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: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -217.998504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.998504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.998504 (E_RNA)
where:
Base-Base interactions energy: -150.127
where: short stacking energy: -69.543
Base-Backbone interact. energy: -0.044
local terms energy: -67.827076
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -18.062
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: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -203.214485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.214485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.214485 (E_RNA)
where:
Base-Base interactions energy: -137.881
where: short stacking energy: -60.666
Base-Backbone interact. energy: -0.052
local terms energy: -65.281134
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -6.863
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: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -192.030105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.030105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.030105 (E_RNA)
where:
Base-Base interactions energy: -133.889
where: short stacking energy: -54.042
Base-Backbone interact. energy: -0.153
local terms energy: -57.988135
where:
bonds (distance) C4'-P energy: -7.852
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -9.986
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: 10, replica: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -98.685707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.685707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.685707 (E_RNA)
where:
Base-Base interactions energy: -40.874
where: short stacking energy: -40.874
Base-Backbone interact. energy: -0.032
local terms energy: -57.779220
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -250.906685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.906685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.906685 (E_RNA)
where:
Base-Base interactions energy: -170.970
where: short stacking energy: -77.453
Base-Backbone interact. energy: -0.883
local terms energy: -79.052953
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -245.322125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.322125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.322125 (E_RNA)
where:
Base-Base interactions energy: -168.531
where: short stacking energy: -81.100
Base-Backbone interact. energy: -0.001
local terms energy: -76.790310
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -20.408
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: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -238.766526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.766526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.766526 (E_RNA)
where:
Base-Base interactions energy: -164.875
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.595
local terms energy: -73.297060
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -19.667
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: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -235.918840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.918840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.918840 (E_RNA)
where:
Base-Base interactions energy: -162.079
where: short stacking energy: -75.926
Base-Backbone interact. energy: -0.089
local terms energy: -73.750529
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -227.111089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.111089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.111089 (E_RNA)
where:
Base-Base interactions energy: -155.111
where: short stacking energy: -71.778
Base-Backbone interact. energy: -0.000
local terms energy: -72.000444
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -18.737
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: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -230.155312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.155312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.155312 (E_RNA)
where:
Base-Base interactions energy: -154.720
where: short stacking energy: -71.092
Base-Backbone interact. energy: -0.812
local terms energy: -74.623393
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -217.099486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.099486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.099486 (E_RNA)
where:
Base-Base interactions energy: -151.934
where: short stacking energy: -70.886
Base-Backbone interact. energy: -0.314
local terms energy: -64.851232
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -6.997
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -15.995
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: 404
Temperature: 1.250000
Total energy: -215.335387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.335387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.335387 (E_RNA)
where:
Base-Base interactions energy: -150.584
where: short stacking energy: -74.110
Base-Backbone interact. energy: -0.253
local terms energy: -64.498386
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -7.660
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: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -209.656541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.656541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.656541 (E_RNA)
where:
Base-Base interactions energy: -142.890
where: short stacking energy: -61.085
Base-Backbone interact. energy: -0.488
local terms energy: -66.278803
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -12.288
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: 10, replica: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -73.703382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.703382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.703382 (E_RNA)
where:
Base-Base interactions energy: -25.363
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.020
local terms energy: -48.320775
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: -3.506
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: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -246.857078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.857078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.857078 (E_RNA)
where:
Base-Base interactions energy: -169.507
where: short stacking energy: -75.824
Base-Backbone interact. energy: -0.240
local terms energy: -77.110124
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -243.989268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.989268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.989268 (E_RNA)
where:
Base-Base interactions energy: -169.918
where: short stacking energy: -77.354
Base-Backbone interact. energy: -0.066
local terms energy: -74.004881
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -20.336
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: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -239.886538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.886538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.886538 (E_RNA)
where:
Base-Base interactions energy: -166.551
where: short stacking energy: -71.643
Base-Backbone interact. energy: -0.718
local terms energy: -72.616891
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -19.592
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: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -243.399272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.399272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.399272 (E_RNA)
where:
Base-Base interactions energy: -169.170
where: short stacking energy: -79.654
Base-Backbone interact. energy: -0.068
local terms energy: -74.161800
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -21.494
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: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -230.043472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.043472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.043472 (E_RNA)
where:
Base-Base interactions energy: -160.225
where: short stacking energy: -71.889
Base-Backbone interact. energy: -0.011
local terms energy: -69.807282
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -220.325077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.325077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.325077 (E_RNA)
where:
Base-Base interactions energy: -157.301
where: short stacking energy: -70.413
Base-Backbone interact. energy: 0.237
local terms energy: -63.260633
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -226.205662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.205662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.205662 (E_RNA)
where:
Base-Base interactions energy: -156.281
where: short stacking energy: -67.949
Base-Backbone interact. energy: -1.001
local terms energy: -68.924278
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.119
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: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -213.206260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.206260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.206260 (E_RNA)
where:
Base-Base interactions energy: -148.716
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.502
local terms energy: -63.987909
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -16.011
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: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -198.254983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.254983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.254983 (E_RNA)
where:
Base-Base interactions energy: -144.621
where: short stacking energy: -60.209
Base-Backbone interact. energy: 0.394
local terms energy: -54.028658
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -9.035
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -6.778
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: 10, replica: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -78.395333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.395333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.395333 (E_RNA)
where:
Base-Base interactions energy: -33.490
where: short stacking energy: -26.544
Base-Backbone interact. energy: -0.044
local terms energy: -44.860898
where:
bonds (distance) C4'-P energy: -7.535
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -244.498126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.498126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.498126 (E_RNA)
where:
Base-Base interactions energy: -171.248
where: short stacking energy: -77.545
Base-Backbone interact. energy: -0.161
local terms energy: -73.089351
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -19.484
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: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -240.714094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.714094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.714094 (E_RNA)
where:
Base-Base interactions energy: -163.971
where: short stacking energy: -72.848
Base-Backbone interact. energy: -0.088
local terms energy: -76.654886
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -20.361
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: 406
Temperature: 1.000000
Total energy: -235.381114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.381114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.381114 (E_RNA)
where:
Base-Base interactions energy: -170.002
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.003
local terms energy: -65.376026
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -18.004
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: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -234.571923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.571923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.571923 (E_RNA)
where:
Base-Base interactions energy: -160.370
where: short stacking energy: -75.217
Base-Backbone interact. energy: -0.149
local terms energy: -74.053325
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -227.363611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.363611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.363611 (E_RNA)
where:
Base-Base interactions energy: -159.753
where: short stacking energy: -67.475
Base-Backbone interact. energy: -0.439
local terms energy: -67.171505
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -17.545
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: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -244.011928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.011928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.011928 (E_RNA)
where:
Base-Base interactions energy: -169.186
where: short stacking energy: -76.394
Base-Backbone interact. energy: -0.212
local terms energy: -74.613452
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -214.333382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.333382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.333382 (E_RNA)
where:
Base-Base interactions energy: -152.236
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.040
local terms energy: -62.056583
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -13.749
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: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -221.284673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.284673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.284673 (E_RNA)
where:
Base-Base interactions energy: -151.368
where: short stacking energy: -66.386
Base-Backbone interact. energy: 0.906
local terms energy: -70.823047
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -19.517
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: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -218.029110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.029110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.029110 (E_RNA)
where:
Base-Base interactions energy: -147.512
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.212
local terms energy: -70.305402
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -80.697373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.697373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.697373 (E_RNA)
where:
Base-Base interactions energy: -36.817
where: short stacking energy: -24.380
Base-Backbone interact. energy: -0.143
local terms energy: -43.737300
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -238.496744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.496744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.496744 (E_RNA)
where:
Base-Base interactions energy: -172.985
where: short stacking energy: -69.844
Base-Backbone interact. energy: -0.021
local terms energy: -65.490347
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -17.208
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: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -244.030383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.030383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.030383 (E_RNA)
where:
Base-Base interactions energy: -171.740
where: short stacking energy: -75.000
Base-Backbone interact. energy: -0.006
local terms energy: -72.283775
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -12.203
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: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -243.749004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.749004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.749004 (E_RNA)
where:
Base-Base interactions energy: -167.237
where: short stacking energy: -76.478
Base-Backbone interact. energy: -1.718
local terms energy: -74.794689
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -23.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -237.150131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.150131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.150131 (E_RNA)
where:
Base-Base interactions energy: -162.727
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.006
local terms energy: -74.416820
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -19.528
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: 407
Temperature: 1.100000
Total energy: -224.900040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.900040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.900040 (E_RNA)
where:
Base-Base interactions energy: -159.462
where: short stacking energy: -61.589
Base-Backbone interact. energy: -1.594
local terms energy: -63.844012
where:
bonds (distance) C4'-P energy: -8.677
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -10.662
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: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -227.348157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.348157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.348157 (E_RNA)
where:
Base-Base interactions energy: -155.742
where: short stacking energy: -75.289
Base-Backbone interact. energy: -0.035
local terms energy: -71.570614
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -19.517
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: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -223.582866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.582866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.582866 (E_RNA)
where:
Base-Base interactions energy: -155.328
where: short stacking energy: -69.717
Base-Backbone interact. energy: -0.166
local terms energy: -68.088365
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -218.919753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.919753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.919753 (E_RNA)
where:
Base-Base interactions energy: -158.516
where: short stacking energy: -68.457
Base-Backbone interact. energy: 0.215
local terms energy: -60.618082
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -16.481
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: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -221.411851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.411851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.411851 (E_RNA)
where:
Base-Base interactions energy: -157.724
where: short stacking energy: -68.328
Base-Backbone interact. energy: -0.089
local terms energy: -63.598553
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -20.697
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -77.653622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.653622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.653622 (E_RNA)
where:
Base-Base interactions energy: -27.313
where: short stacking energy: -27.313
Base-Backbone interact. energy: 0.770
local terms energy: -51.111259
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -244.283638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.283638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.283638 (E_RNA)
where:
Base-Base interactions energy: -165.920
where: short stacking energy: -74.323
Base-Backbone interact. energy: -0.005
local terms energy: -78.358616
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -240.962931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.962931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.962931 (E_RNA)
where:
Base-Base interactions energy: -164.685
where: short stacking energy: -76.395
Base-Backbone interact. energy: 0.190
local terms energy: -76.467784
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -234.455987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.455987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.455987 (E_RNA)
where:
Base-Base interactions energy: -166.111
where: short stacking energy: -76.120
Base-Backbone interact. energy: -0.044
local terms energy: -68.300755
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -233.342832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.342832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.342832 (E_RNA)
where:
Base-Base interactions energy: -161.019
where: short stacking energy: -73.323
Base-Backbone interact. energy: 0.196
local terms energy: -72.519773
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -231.053465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.053465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.053465 (E_RNA)
where:
Base-Base interactions energy: -157.043
where: short stacking energy: -72.058
Base-Backbone interact. energy: -0.270
local terms energy: -73.740032
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -219.088754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.088754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.088754 (E_RNA)
where:
Base-Base interactions energy: -154.778
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.655
local terms energy: -63.655301
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -10.772
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: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -215.704315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.704315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.704315 (E_RNA)
where:
Base-Base interactions energy: -150.914
where: short stacking energy: -64.674
Base-Backbone interact. energy: -0.214
local terms energy: -64.576064
where:
bonds (distance) C4'-P energy: -7.948
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -18.248
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: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -216.587018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.587018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.587018 (E_RNA)
where:
Base-Base interactions energy: -152.179
where: short stacking energy: -67.909
Base-Backbone interact. energy: 0.185
local terms energy: -64.592502
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -205.275919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.275919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.275919 (E_RNA)
where:
Base-Base interactions energy: -145.879
where: short stacking energy: -60.782
Base-Backbone interact. energy: -1.006
local terms energy: -58.391750
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -89.222737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.222737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.222737 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -35.430
Base-Backbone interact. energy: -0.002
local terms energy: -53.790026
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: -12.497
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: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -251.547202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.547202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.547202 (E_RNA)
where:
Base-Base interactions energy: -171.846
where: short stacking energy: -74.037
Base-Backbone interact. energy: -1.811
local terms energy: -77.890428
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -243.113925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.113925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.113925 (E_RNA)
where:
Base-Base interactions energy: -167.052
where: short stacking energy: -76.338
Base-Backbone interact. energy: -0.000
local terms energy: -76.061259
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -236.968322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.968322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.968322 (E_RNA)
where:
Base-Base interactions energy: -164.169
where: short stacking energy: -75.017
Base-Backbone interact. energy: -0.290
local terms energy: -72.509706
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -17.781
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: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -234.761811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.761811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.761811 (E_RNA)
where:
Base-Base interactions energy: -163.622
where: short stacking energy: -74.699
Base-Backbone interact. energy: -0.004
local terms energy: -71.135425
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -234.674426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.674426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.674426 (E_RNA)
where:
Base-Base interactions energy: -162.947
where: short stacking energy: -62.573
Base-Backbone interact. energy: -0.002
local terms energy: -71.725463
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -20.863
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: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -228.865017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.865017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.865017 (E_RNA)
where:
Base-Base interactions energy: -161.185
where: short stacking energy: -69.504
Base-Backbone interact. energy: -0.062
local terms energy: -67.618408
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -214.575527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.575527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.575527 (E_RNA)
where:
Base-Base interactions energy: -151.457
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.091
local terms energy: -63.028380
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -9.203
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -13.126
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: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -219.724762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.724762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.724762 (E_RNA)
where:
Base-Base interactions energy: -162.270
where: short stacking energy: -64.783
Base-Backbone interact. energy: -0.044
local terms energy: -57.410850
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -2.551
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.063
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: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -209.371953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.371953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.371953 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -63.269
Base-Backbone interact. energy: -0.005
local terms energy: -65.779625
where:
bonds (distance) C4'-P energy: -6.167
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -83.272478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.272478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.272478 (E_RNA)
where:
Base-Base interactions energy: -34.382
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.166
local terms energy: -48.724476
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -7.171
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -2.686
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: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -245.887192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.887192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.887192 (E_RNA)
where:
Base-Base interactions energy: -173.762
where: short stacking energy: -76.362
Base-Backbone interact. energy: -0.211
local terms energy: -71.913526
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -243.360680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.360680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.360680 (E_RNA)
where:
Base-Base interactions energy: -175.042
where: short stacking energy: -72.181
Base-Backbone interact. energy: -0.001
local terms energy: -68.317702
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.756
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: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -232.785359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.785359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.785359 (E_RNA)
where:
Base-Base interactions energy: -163.732
where: short stacking energy: -74.745
Base-Backbone interact. energy: -0.033
local terms energy: -69.020666
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -236.490531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.490531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.490531 (E_RNA)
where:
Base-Base interactions energy: -165.472
where: short stacking energy: -77.831
Base-Backbone interact. energy: -0.628
local terms energy: -70.390904
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -20.862
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: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -233.094035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.094035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.094035 (E_RNA)
where:
Base-Base interactions energy: -160.841
where: short stacking energy: -71.651
Base-Backbone interact. energy: -0.639
local terms energy: -71.614000
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -223.039475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.039475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.039475 (E_RNA)
where:
Base-Base interactions energy: -159.949
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.036
local terms energy: -63.054666
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -220.735544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.735544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.735544 (E_RNA)
where:
Base-Base interactions energy: -157.924
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.422
local terms energy: -62.389047
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.103
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: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -226.514587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.514587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.514587 (E_RNA)
where:
Base-Base interactions energy: -157.593
where: short stacking energy: -64.102
Base-Backbone interact. energy: -0.016
local terms energy: -68.905024
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -12.825
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: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -202.891145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.891145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.891145 (E_RNA)
where:
Base-Base interactions energy: -132.483
where: short stacking energy: -52.668
Base-Backbone interact. energy: -0.080
local terms energy: -70.328249
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -76.898815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.898815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.898815 (E_RNA)
where:
Base-Base interactions energy: -35.456
where: short stacking energy: -20.141
Base-Backbone interact. energy: -0.149
local terms energy: -41.293465
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -6.076
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: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -251.978747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.978747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.978747 (E_RNA)
where:
Base-Base interactions energy: -172.512
where: short stacking energy: -75.423
Base-Backbone interact. energy: -0.002
local terms energy: -79.464414
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -18.188
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: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -239.696046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.696046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.696046 (E_RNA)
where:
Base-Base interactions energy: -165.334
where: short stacking energy: -73.374
Base-Backbone interact. energy: -0.335
local terms energy: -74.026514
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -236.666358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.666358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.666358 (E_RNA)
where:
Base-Base interactions energy: -166.502
where: short stacking energy: -67.617
Base-Backbone interact. energy: 0.738
local terms energy: -70.901677
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -19.533
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: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -236.516548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.516548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.516548 (E_RNA)
where:
Base-Base interactions energy: -162.593
where: short stacking energy: -70.318
Base-Backbone interact. energy: -0.326
local terms energy: -73.598033
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -18.667
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: 411
Temperature: 1.100000
Total energy: -232.879304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.879304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.879304 (E_RNA)
where:
Base-Base interactions energy: -158.494
where: short stacking energy: -71.300
Base-Backbone interact. energy: -1.628
local terms energy: -72.757361
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -216.299849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299849 (E_RNA)
where:
Base-Base interactions energy: -154.711
where: short stacking energy: -62.742
Base-Backbone interact. energy: -0.534
local terms energy: -61.055087
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -196.267946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.267946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.267946 (E_RNA)
where:
Base-Base interactions energy: -136.064
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.351
local terms energy: -59.852334
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -10.998
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: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -206.915830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.915830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.915830 (E_RNA)
where:
Base-Base interactions energy: -144.551
where: short stacking energy: -56.046
Base-Backbone interact. energy: -0.266
local terms energy: -62.099270
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -7.468
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: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -199.892116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.892116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.892116 (E_RNA)
where:
Base-Base interactions energy: -134.359
where: short stacking energy: -56.020
Base-Backbone interact. energy: -0.103
local terms energy: -65.430397
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -78.652088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.652088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.652088 (E_RNA)
where:
Base-Base interactions energy: -29.598
where: short stacking energy: -29.598
Base-Backbone interact. energy: -0.893
local terms energy: -48.161927
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -243.110128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.110128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.110128 (E_RNA)
where:
Base-Base interactions energy: -172.270
where: short stacking energy: -73.648
Base-Backbone interact. energy: 0.502
local terms energy: -71.342201
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -243.979221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.979221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.979221 (E_RNA)
where:
Base-Base interactions energy: -169.672
where: short stacking energy: -77.793
Base-Backbone interact. energy: -0.493
local terms energy: -73.814942
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -21.128
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: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -241.830466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.830466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.830466 (E_RNA)
where:
Base-Base interactions energy: -160.881
where: short stacking energy: -77.461
Base-Backbone interact. energy: -0.654
local terms energy: -80.295660
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -238.640701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.640701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.640701 (E_RNA)
where:
Base-Base interactions energy: -164.013
where: short stacking energy: -74.158
Base-Backbone interact. energy: -0.324
local terms energy: -74.303451
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -18.987
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: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -221.484030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.484030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.484030 (E_RNA)
where:
Base-Base interactions energy: -151.127
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.598
local terms energy: -69.759021
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -9.029
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: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -226.373052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.373052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.373052 (E_RNA)
where:
Base-Base interactions energy: -152.996
where: short stacking energy: -71.723
Base-Backbone interact. energy: -0.002
local terms energy: -73.375060
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -214.313556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.313556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.313556 (E_RNA)
where:
Base-Base interactions energy: -147.914
where: short stacking energy: -63.519
Base-Backbone interact. energy: -0.101
local terms energy: -66.298929
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -11.673
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: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -210.385085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.385085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.385085 (E_RNA)
where:
Base-Base interactions energy: -156.418
where: short stacking energy: -67.948
Base-Backbone interact. energy: 1.681
local terms energy: -55.647708
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -203.776831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.776831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.776831 (E_RNA)
where:
Base-Base interactions energy: -147.795
where: short stacking energy: -59.239
Base-Backbone interact. energy: -0.528
local terms energy: -55.454498
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -6.937
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: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -79.922462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.922462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.922462 (E_RNA)
where:
Base-Base interactions energy: -31.508
where: short stacking energy: -31.508
Base-Backbone interact. energy: 0.465
local terms energy: -48.879994
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -239.792667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.792667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.792667 (E_RNA)
where:
Base-Base interactions energy: -162.656
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.002
local terms energy: -77.134646
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -248.939394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.939394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.939394 (E_RNA)
where:
Base-Base interactions energy: -174.655
where: short stacking energy: -71.852
Base-Backbone interact. energy: -1.300
local terms energy: -72.984593
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -241.084172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.084172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.084172 (E_RNA)
where:
Base-Base interactions energy: -168.982
where: short stacking energy: -67.494
Base-Backbone interact. energy: -0.001
local terms energy: -72.101142
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -224.938951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.938951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.938951 (E_RNA)
where:
Base-Base interactions energy: -158.981
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.041
local terms energy: -65.917207
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -229.419604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.419604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.419604 (E_RNA)
where:
Base-Base interactions energy: -156.701
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.166
local terms energy: -72.552215
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -18.448
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: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -227.742882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.742882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.742882 (E_RNA)
where:
Base-Base interactions energy: -161.412
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.128
local terms energy: -66.202981
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -9.444
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: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -222.129799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.129799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.129799 (E_RNA)
where:
Base-Base interactions energy: -152.550
where: short stacking energy: -69.561
Base-Backbone interact. energy: -0.049
local terms energy: -69.530965
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -18.370
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: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -211.714954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.714954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.714954 (E_RNA)
where:
Base-Base interactions energy: -151.927
where: short stacking energy: -63.052
Base-Backbone interact. energy: -0.119
local terms energy: -59.668771
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.471
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: 9, replica: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -205.681202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.681202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.681202 (E_RNA)
where:
Base-Base interactions energy: -145.325
where: short stacking energy: -57.396
Base-Backbone interact. energy: -0.063
local terms energy: -60.292739
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -16.715
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: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -75.291454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.291454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.291454 (E_RNA)
where:
Base-Base interactions energy: -33.657
where: short stacking energy: -23.232
Base-Backbone interact. energy: 0.491
local terms energy: -42.126133
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: 4.656
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: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -246.372407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.372407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.372407 (E_RNA)
where:
Base-Base interactions energy: -171.282
where: short stacking energy: -71.413
Base-Backbone interact. energy: -0.158
local terms energy: -74.932116
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -20.123
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: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -237.776851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.776851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.776851 (E_RNA)
where:
Base-Base interactions energy: -167.069
where: short stacking energy: -78.906
Base-Backbone interact. energy: -0.594
local terms energy: -70.114386
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -18.308
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: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -237.799294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.799294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.799294 (E_RNA)
where:
Base-Base interactions energy: -167.164
where: short stacking energy: -79.142
Base-Backbone interact. energy: -0.289
local terms energy: -70.346002
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -238.481468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.481468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.481468 (E_RNA)
where:
Base-Base interactions energy: -165.838
where: short stacking energy: -73.608
Base-Backbone interact. energy: -0.001
local terms energy: -72.643083
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -20.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -232.457798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.457798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.457798 (E_RNA)
where:
Base-Base interactions energy: -159.904
where: short stacking energy: -72.144
Base-Backbone interact. energy: -0.032
local terms energy: -72.521729
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -229.061250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.061250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.061250 (E_RNA)
where:
Base-Base interactions energy: -157.166
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.835
local terms energy: -71.060697
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -12.703
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: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -222.166618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.166618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.166618 (E_RNA)
where:
Base-Base interactions energy: -157.771
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.003
local terms energy: -64.392724
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -18.239
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: 414
Temperature: 1.250000
Total energy: -215.568871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.568871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.568871 (E_RNA)
where:
Base-Base interactions energy: -156.883
where: short stacking energy: -67.750
Base-Backbone interact. energy: -0.012
local terms energy: -58.673849
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -5.703
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: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -210.010352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.010352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.010352 (E_RNA)
where:
Base-Base interactions energy: -148.070
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.028
local terms energy: -61.911576
where:
bonds (distance) C4'-P energy: -7.689
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -7.123
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: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -82.525892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.525892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.525892 (E_RNA)
where:
Base-Base interactions energy: -43.846
where: short stacking energy: -23.698
Base-Backbone interact. energy: -0.056
local terms energy: -38.624616
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -8.064
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -9.783
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: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -248.911572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.911572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.911572 (E_RNA)
where:
Base-Base interactions energy: -169.283
where: short stacking energy: -74.912
Base-Backbone interact. energy: -0.000
local terms energy: -79.628296
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -20.172
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: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -242.515895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.515895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.515895 (E_RNA)
where:
Base-Base interactions energy: -166.947
where: short stacking energy: -67.940
Base-Backbone interact. energy: -0.056
local terms energy: -75.512324
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -17.154
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: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -239.173427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.173427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.173427 (E_RNA)
where:
Base-Base interactions energy: -163.380
where: short stacking energy: -77.674
Base-Backbone interact. energy: -0.635
local terms energy: -75.158594
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -19.323
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: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -235.239024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.239024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.239024 (E_RNA)
where:
Base-Base interactions energy: -164.345
where: short stacking energy: -78.197
Base-Backbone interact. energy: -0.890
local terms energy: -70.003701
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -22.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -229.763519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.763519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.763519 (E_RNA)
where:
Base-Base interactions energy: -157.754
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.185
local terms energy: -71.824412
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -229.544469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.544469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.544469 (E_RNA)
where:
Base-Base interactions energy: -161.918
where: short stacking energy: -76.848
Base-Backbone interact. energy: -0.240
local terms energy: -67.386604
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -219.437227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.437227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.437227 (E_RNA)
where:
Base-Base interactions energy: -148.800
where: short stacking energy: -59.279
Base-Backbone interact. energy: -0.787
local terms energy: -69.850365
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -214.326868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.326868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.326868 (E_RNA)
where:
Base-Base interactions energy: -144.690
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.178
local terms energy: -69.458514
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -216.715765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.715765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.715765 (E_RNA)
where:
Base-Base interactions energy: -145.529
where: short stacking energy: -56.164
Base-Backbone interact. energy: -0.015
local terms energy: -71.171726
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -93.573359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.573359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.573359 (E_RNA)
where:
Base-Base interactions energy: -42.762
where: short stacking energy: -34.060
Base-Backbone interact. energy: -0.084
local terms energy: -50.726928
where:
bonds (distance) C4'-P energy: -6.169
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -244.160164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.160164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.160164 (E_RNA)
where:
Base-Base interactions energy: -160.320
where: short stacking energy: -72.321
Base-Backbone interact. energy: -0.001
local terms energy: -83.839422
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -239.336867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.336867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.336867 (E_RNA)
where:
Base-Base interactions energy: -167.484
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.100
local terms energy: -71.752690
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -231.325869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.325869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.325869 (E_RNA)
where:
Base-Base interactions energy: -158.456
where: short stacking energy: -75.612
Base-Backbone interact. energy: -0.026
local terms energy: -72.844076
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -17.000
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: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -233.484189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.484189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.484189 (E_RNA)
where:
Base-Base interactions energy: -159.495
where: short stacking energy: -69.936
Base-Backbone interact. energy: -0.595
local terms energy: -73.394821
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -238.507128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.507128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.507128 (E_RNA)
where:
Base-Base interactions energy: -165.061
where: short stacking energy: -76.019
Base-Backbone interact. energy: -1.274
local terms energy: -72.172384
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -221.810572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.810572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.810572 (E_RNA)
where:
Base-Base interactions energy: -156.245
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.013
local terms energy: -65.552783
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -11.337
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: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -221.403101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.403101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.403101 (E_RNA)
where:
Base-Base interactions energy: -156.825
where: short stacking energy: -71.560
Base-Backbone interact. energy: -0.006
local terms energy: -64.572298
where:
bonds (distance) C4'-P energy: -8.274
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -222.005052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.005052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.005052 (E_RNA)
where:
Base-Base interactions energy: -157.286
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.041
local terms energy: -64.677755
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -15.884
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: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -223.665258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.665258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.665258 (E_RNA)
where:
Base-Base interactions energy: -156.997
where: short stacking energy: -71.854
Base-Backbone interact. energy: -0.001
local terms energy: -66.667270
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -18.999
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: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -70.963778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.963778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.963778 (E_RNA)
where:
Base-Base interactions energy: -17.261
where: short stacking energy: -17.261
Base-Backbone interact. energy: -0.036
local terms energy: -53.666488
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: 1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -247.981497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.981497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.981497 (E_RNA)
where:
Base-Base interactions energy: -169.660
where: short stacking energy: -73.530
Base-Backbone interact. energy: -1.296
local terms energy: -77.025985
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -242.762651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.762651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.762651 (E_RNA)
where:
Base-Base interactions energy: -164.708
where: short stacking energy: -79.475
Base-Backbone interact. energy: -0.007
local terms energy: -78.047896
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -20.796
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: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -239.825999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.825999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.825999 (E_RNA)
where:
Base-Base interactions energy: -163.280
where: short stacking energy: -76.731
Base-Backbone interact. energy: -0.011
local terms energy: -76.535581
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -220.329324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.329324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.329324 (E_RNA)
where:
Base-Base interactions energy: -151.382
where: short stacking energy: -62.687
Base-Backbone interact. energy: -0.053
local terms energy: -68.894166
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -230.834436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.834436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.834436 (E_RNA)
where:
Base-Base interactions energy: -156.336
where: short stacking energy: -75.582
Base-Backbone interact. energy: -0.629
local terms energy: -73.869504
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -18.750
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: 417
Temperature: 1.150000
Total energy: -224.208046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.208046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.208046 (E_RNA)
where:
Base-Base interactions energy: -153.964
where: short stacking energy: -73.121
Base-Backbone interact. energy: -0.087
local terms energy: -70.157282
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -19.624
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: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -226.017760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.017760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.017760 (E_RNA)
where:
Base-Base interactions energy: -153.887
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.909
local terms energy: -71.222022
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -220.804551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.804551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.804551 (E_RNA)
where:
Base-Base interactions energy: -154.764
where: short stacking energy: -69.733
Base-Backbone interact. energy: -0.000
local terms energy: -66.040285
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -18.931
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: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -207.915693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.915693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.915693 (E_RNA)
where:
Base-Base interactions energy: -150.560
where: short stacking energy: -61.437
Base-Backbone interact. energy: -0.319
local terms energy: -57.036271
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -5.892
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -77.953150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.953150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.953150 (E_RNA)
where:
Base-Base interactions energy: -23.543
where: short stacking energy: -24.343
Base-Backbone interact. energy: -0.133
local terms energy: -54.277055
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -247.102308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.102308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.102308 (E_RNA)
where:
Base-Base interactions energy: -167.495
where: short stacking energy: -82.382
Base-Backbone interact. energy: 0.204
local terms energy: -79.811604
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -20.788
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: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -244.214026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.214026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.214026 (E_RNA)
where:
Base-Base interactions energy: -162.517
where: short stacking energy: -67.869
Base-Backbone interact. energy: -1.899
local terms energy: -79.797732
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -21.171
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: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -240.690474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.690474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.690474 (E_RNA)
where:
Base-Base interactions energy: -168.098
where: short stacking energy: -75.947
Base-Backbone interact. energy: -0.001
local terms energy: -72.591560
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -233.772683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.772683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.772683 (E_RNA)
where:
Base-Base interactions energy: -163.191
where: short stacking energy: -69.250
Base-Backbone interact. energy: -0.313
local terms energy: -70.268926
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -9.648
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -21.182
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: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -227.658839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.658839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.658839 (E_RNA)
where:
Base-Base interactions energy: -154.764
where: short stacking energy: -61.451
Base-Backbone interact. energy: -0.113
local terms energy: -72.781968
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -7.162
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: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -229.174404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.174404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.174404 (E_RNA)
where:
Base-Base interactions energy: -156.331
where: short stacking energy: -65.111
Base-Backbone interact. energy: -0.002
local terms energy: -72.841457
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -21.126
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -230.584841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.584841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.584841 (E_RNA)
where:
Base-Base interactions energy: -158.614
where: short stacking energy: -73.979
Base-Backbone interact. energy: -0.294
local terms energy: -71.677072
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -216.045437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.045437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.045437 (E_RNA)
where:
Base-Base interactions energy: -146.841
where: short stacking energy: -65.700
Base-Backbone interact. energy: -0.718
local terms energy: -68.486035
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -208.162742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.162742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.162742 (E_RNA)
where:
Base-Base interactions energy: -145.250
where: short stacking energy: -63.691
Base-Backbone interact. energy: -0.028
local terms energy: -62.885376
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -14.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -91.221009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.221009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.221009 (E_RNA)
where:
Base-Base interactions energy: -47.109
where: short stacking energy: -20.598
Base-Backbone interact. energy: -0.157
local terms energy: -43.954984
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -2.045
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: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -240.117277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.117277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.117277 (E_RNA)
where:
Base-Base interactions energy: -165.551
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.023
local terms energy: -74.543403
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -17.627
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: 419
Temperature: 0.950000
Total energy: -248.553901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.553901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.553901 (E_RNA)
where:
Base-Base interactions energy: -175.969
where: short stacking energy: -74.991
Base-Backbone interact. energy: -0.001
local terms energy: -72.583580
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -18.676
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: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -234.571331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.571331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.571331 (E_RNA)
where:
Base-Base interactions energy: -167.325
where: short stacking energy: -72.219
Base-Backbone interact. energy: -0.030
local terms energy: -67.215779
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -236.310647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.310647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.310647 (E_RNA)
where:
Base-Base interactions energy: -161.712
where: short stacking energy: -71.741
Base-Backbone interact. energy: -0.002
local terms energy: -74.596604
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -223.410951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.410951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.410951 (E_RNA)
where:
Base-Base interactions energy: -161.772
where: short stacking energy: -73.209
Base-Backbone interact. energy: -0.016
local terms energy: -61.623324
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.241
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: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -227.774898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.774898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.774898 (E_RNA)
where:
Base-Base interactions energy: -157.110
where: short stacking energy: -68.245
Base-Backbone interact. energy: -0.261
local terms energy: -70.403527
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -19.923
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: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -224.916011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.916011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.916011 (E_RNA)
where:
Base-Base interactions energy: -162.760
where: short stacking energy: -74.247
Base-Backbone interact. energy: -0.385
local terms energy: -61.770917
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -217.180011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.180011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.180011 (E_RNA)
where:
Base-Base interactions energy: -165.722
where: short stacking energy: -61.233
Base-Backbone interact. energy: -0.601
local terms energy: -50.856791
where:
bonds (distance) C4'-P energy: -7.279
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -211.922717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.922717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.922717 (E_RNA)
where:
Base-Base interactions energy: -149.361
where: short stacking energy: -70.806
Base-Backbone interact. energy: -0.069
local terms energy: -62.492700
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -74.031892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.031892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.031892 (E_RNA)
where:
Base-Base interactions energy: -26.753
where: short stacking energy: -25.686
Base-Backbone interact. energy: -0.353
local terms energy: -46.926154
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -243.086008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.086008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.086008 (E_RNA)
where:
Base-Base interactions energy: -176.189
where: short stacking energy: -76.529
Base-Backbone interact. energy: -0.001
local terms energy: -66.895500
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -7.814
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: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -238.810023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.810023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.810023 (E_RNA)
where:
Base-Base interactions energy: -163.458
where: short stacking energy: -79.760
Base-Backbone interact. energy: -0.023
local terms energy: -75.328757
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -19.820
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: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -235.563730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.563730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.563730 (E_RNA)
where:
Base-Base interactions energy: -166.921
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.113
local terms energy: -68.529431
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -19.892
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: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -229.751302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.751302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.751302 (E_RNA)
where:
Base-Base interactions energy: -156.877
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.059
local terms energy: -72.815463
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -232.473971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.473971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.473971 (E_RNA)
where:
Base-Base interactions energy: -165.472
where: short stacking energy: -64.402
Base-Backbone interact. energy: -0.053
local terms energy: -66.949180
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -15.218
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: 420
Temperature: 1.150000
Total energy: -219.704874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.704874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.704874 (E_RNA)
where:
Base-Base interactions energy: -154.114
where: short stacking energy: -67.124
Base-Backbone interact. energy: -0.961
local terms energy: -64.629076
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -209.042621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.042621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.042621 (E_RNA)
where:
Base-Base interactions energy: -143.666
where: short stacking energy: -62.216
Base-Backbone interact. energy: -0.669
local terms energy: -64.707117
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.895
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: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -218.079830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.079830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.079830 (E_RNA)
where:
Base-Base interactions energy: -150.998
where: short stacking energy: -64.038
Base-Backbone interact. energy: -0.001
local terms energy: -67.080816
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -18.865
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: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -207.788444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.788444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.788444 (E_RNA)
where:
Base-Base interactions energy: -142.075
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.017
local terms energy: -65.695999
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.338
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: 10, replica: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -90.645580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.645580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.645580 (E_RNA)
where:
Base-Base interactions energy: -53.043
where: short stacking energy: -31.762
Base-Backbone interact. energy: 1.889
local terms energy: -39.491373
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -3.255
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: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -242.058617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.058617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.058617 (E_RNA)
where:
Base-Base interactions energy: -168.187
where: short stacking energy: -72.215
Base-Backbone interact. energy: -0.291
local terms energy: -73.580488
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -242.495385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.495385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.495385 (E_RNA)
where:
Base-Base interactions energy: -166.914
where: short stacking energy: -73.502
Base-Backbone interact. energy: -0.008
local terms energy: -75.574002
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -243.906771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.906771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.906771 (E_RNA)
where:
Base-Base interactions energy: -167.150
where: short stacking energy: -77.070
Base-Backbone interact. energy: -0.001
local terms energy: -76.755948
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -235.947851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.947851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.947851 (E_RNA)
where:
Base-Base interactions energy: -160.409
where: short stacking energy: -72.937
Base-Backbone interact. energy: -0.001
local terms energy: -75.537853
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -227.825209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.825209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.825209 (E_RNA)
where:
Base-Base interactions energy: -157.908
where: short stacking energy: -67.885
Base-Backbone interact. energy: -0.001
local terms energy: -69.915966
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -219.729988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.729988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.729988 (E_RNA)
where:
Base-Base interactions energy: -148.871
where: short stacking energy: -64.720
Base-Backbone interact. energy: 0.412
local terms energy: -71.271162
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -19.377
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: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -222.455923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.455923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.455923 (E_RNA)
where:
Base-Base interactions energy: -156.421
where: short stacking energy: -72.881
Base-Backbone interact. energy: -0.000
local terms energy: -66.035046
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -20.157
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: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -215.907614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.907614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.907614 (E_RNA)
where:
Base-Base interactions energy: -148.024
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.274
local terms energy: -67.609456
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.548
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: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -213.391332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.391332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.391332 (E_RNA)
where:
Base-Base interactions energy: -142.413
where: short stacking energy: -59.613
Base-Backbone interact. energy: -1.050
local terms energy: -69.928486
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -11.938
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: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -106.727676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.727676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.727676 (E_RNA)
where:
Base-Base interactions energy: -52.499
where: short stacking energy: -19.855
Base-Backbone interact. energy: -0.379
local terms energy: -53.850348
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: 0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -243.099159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.099159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.099159 (E_RNA)
where:
Base-Base interactions energy: -172.436
where: short stacking energy: -76.777
Base-Backbone interact. energy: -0.176
local terms energy: -70.487566
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -22.244
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: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -244.228022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.228022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.228022 (E_RNA)
where:
Base-Base interactions energy: -169.342
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.098
local terms energy: -74.788207
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -17.942
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: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -241.169513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.169513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.169513 (E_RNA)
where:
Base-Base interactions energy: -168.491
where: short stacking energy: -70.596
Base-Backbone interact. energy: -0.631
local terms energy: -72.047617
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -247.674578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.674578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.674578 (E_RNA)
where:
Base-Base interactions energy: -172.739
where: short stacking energy: -79.959
Base-Backbone interact. energy: -1.354
local terms energy: -73.581389
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -21.001
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: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -230.426477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.426477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.426477 (E_RNA)
where:
Base-Base interactions energy: -159.456
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.207
local terms energy: -70.763136
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -219.908450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.908450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.908450 (E_RNA)
where:
Base-Base interactions energy: -152.256
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.029
local terms energy: -67.624310
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -234.243773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.243773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.243773 (E_RNA)
where:
Base-Base interactions energy: -164.934
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.003
local terms energy: -69.306709
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -11.864
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: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -213.476993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.476993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.476993 (E_RNA)
where:
Base-Base interactions energy: -145.728
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.058
local terms energy: -67.690682
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.421
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: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -205.468004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.468004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.468004 (E_RNA)
where:
Base-Base interactions energy: -146.099
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.213
local terms energy: -59.156690
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -7.962
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: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -85.138516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.138516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.138516 (E_RNA)
where:
Base-Base interactions energy: -32.343
where: short stacking energy: -22.730
Base-Backbone interact. energy: -0.362
local terms energy: -52.433662
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -6.785
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: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -247.625906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.625906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.625906 (E_RNA)
where:
Base-Base interactions energy: -164.860
where: short stacking energy: -75.280
Base-Backbone interact. energy: -0.000
local terms energy: -82.766039
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -239.133386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.133386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.133386 (E_RNA)
where:
Base-Base interactions energy: -166.364
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.580
local terms energy: -72.189493
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -244.627240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.627240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.627240 (E_RNA)
where:
Base-Base interactions energy: -164.515
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.305
local terms energy: -79.807581
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -228.236811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.236811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.236811 (E_RNA)
where:
Base-Base interactions energy: -154.519
where: short stacking energy: -65.547
Base-Backbone interact. energy: 2.764
local terms energy: -76.481770
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -18.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -226.312274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.312274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.312274 (E_RNA)
where:
Base-Base interactions energy: -154.757
where: short stacking energy: -64.613
Base-Backbone interact. energy: -0.001
local terms energy: -71.554292
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -18.472
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: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -232.520370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.520370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.520370 (E_RNA)
where:
Base-Base interactions energy: -163.708
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.762
local terms energy: -68.050338
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -8.506
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: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -220.834219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.834219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.834219 (E_RNA)
where:
Base-Base interactions energy: -151.749
where: short stacking energy: -71.975
Base-Backbone interact. energy: -0.010
local terms energy: -69.075895
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -219.221969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.221969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.221969 (E_RNA)
where:
Base-Base interactions energy: -160.761
where: short stacking energy: -75.119
Base-Backbone interact. energy: -0.033
local terms energy: -58.427578
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -7.894
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: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -211.026101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.026101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.026101 (E_RNA)
where:
Base-Base interactions energy: -146.422
where: short stacking energy: -63.490
Base-Backbone interact. energy: -0.281
local terms energy: -64.323004
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -19.277
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: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -82.835664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.835664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.835664 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -32.170
Base-Backbone interact. energy: -0.097
local terms energy: -50.568448
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -6.671
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: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -248.502961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.502961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.502961 (E_RNA)
where:
Base-Base interactions energy: -172.738
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.127
local terms energy: -75.638102
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -19.169
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: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -246.816955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.816955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.816955 (E_RNA)
where:
Base-Base interactions energy: -173.219
where: short stacking energy: -74.230
Base-Backbone interact. energy: -0.009
local terms energy: -73.589126
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -19.931
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: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -230.287551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.287551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.287551 (E_RNA)
where:
Base-Base interactions energy: -158.441
where: short stacking energy: -71.805
Base-Backbone interact. energy: -0.311
local terms energy: -71.535878
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -239.224778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.224778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.224778 (E_RNA)
where:
Base-Base interactions energy: -164.744
where: short stacking energy: -74.081
Base-Backbone interact. energy: -0.018
local terms energy: -74.462843
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -23.906
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: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -234.245400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.245400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.245400 (E_RNA)
where:
Base-Base interactions energy: -162.730
where: short stacking energy: -76.661
Base-Backbone interact. energy: -0.480
local terms energy: -71.035101
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -224.399159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.399159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.399159 (E_RNA)
where:
Base-Base interactions energy: -158.561
where: short stacking energy: -73.495
Base-Backbone interact. energy: -0.156
local terms energy: -65.681667
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -224.011187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.011187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.011187 (E_RNA)
where:
Base-Base interactions energy: -155.893
where: short stacking energy: -78.071
Base-Backbone interact. energy: -0.064
local terms energy: -68.054322
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -203.534638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.534638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.534638 (E_RNA)
where:
Base-Base interactions energy: -141.510
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.042
local terms energy: -61.982696
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -7.855
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: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -216.281332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.281332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.281332 (E_RNA)
where:
Base-Base interactions energy: -147.898
where: short stacking energy: -64.807
Base-Backbone interact. energy: -0.414
local terms energy: -67.969276
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -84.531974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.531974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.531974 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -21.331
Base-Backbone interact. energy: -0.193
local terms energy: -47.307704
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -1.220
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: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -246.242951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.242951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.242951 (E_RNA)
where:
Base-Base interactions energy: -171.414
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.751
local terms energy: -74.078331
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -19.631
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: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -241.741967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.741967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.741967 (E_RNA)
where:
Base-Base interactions energy: -166.784
where: short stacking energy: -70.147
Base-Backbone interact. energy: -0.002
local terms energy: -74.956044
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -18.810
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: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -231.278396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.278396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.278396 (E_RNA)
where:
Base-Base interactions energy: -166.928
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.726
local terms energy: -63.624908
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -7.852
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: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -239.594499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.594499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.594499 (E_RNA)
where:
Base-Base interactions energy: -164.427
where: short stacking energy: -74.842
Base-Backbone interact. energy: -0.139
local terms energy: -75.028408
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -21.724
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: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -232.813320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.813320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.813320 (E_RNA)
where:
Base-Base interactions energy: -162.939
where: short stacking energy: -60.782
Base-Backbone interact. energy: -0.145
local terms energy: -69.729084
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -12.926
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: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -231.206114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.206114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.206114 (E_RNA)
where:
Base-Base interactions energy: -159.681
where: short stacking energy: -74.816
Base-Backbone interact. energy: -0.238
local terms energy: -71.286816
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -221.333241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.333241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.333241 (E_RNA)
where:
Base-Base interactions energy: -151.465
where: short stacking energy: -68.353
Base-Backbone interact. energy: -0.175
local terms energy: -69.692993
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -12.701
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: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -216.849494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.849494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.849494 (E_RNA)
where:
Base-Base interactions energy: -146.307
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.647
local terms energy: -69.895368
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -209.602198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.602198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.602198 (E_RNA)
where:
Base-Base interactions energy: -145.722
where: short stacking energy: -67.663
Base-Backbone interact. energy: -0.293
local terms energy: -63.587229
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -18.307
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: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -82.479788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.479788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.479788 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -36.120
Base-Backbone interact. energy: -0.098
local terms energy: -46.261823
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -245.771900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.771900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.771900 (E_RNA)
where:
Base-Base interactions energy: -168.494
where: short stacking energy: -70.456
Base-Backbone interact. energy: -0.723
local terms energy: -76.554897
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -239.749718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.749718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.749718 (E_RNA)
where:
Base-Base interactions energy: -162.551
where: short stacking energy: -68.908
Base-Backbone interact. energy: -0.392
local terms energy: -76.806483
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -239.458846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.458846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.458846 (E_RNA)
where:
Base-Base interactions energy: -166.102
where: short stacking energy: -69.337
Base-Backbone interact. energy: -0.090
local terms energy: -73.266503
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -234.076931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.076931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.076931 (E_RNA)
where:
Base-Base interactions energy: -160.172
where: short stacking energy: -76.143
Base-Backbone interact. energy: -0.056
local terms energy: -73.849217
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -224.890261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.890261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.890261 (E_RNA)
where:
Base-Base interactions energy: -160.086
where: short stacking energy: -71.914
Base-Backbone interact. energy: -0.416
local terms energy: -64.388517
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -9.248
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -229.526956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.526956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.526956 (E_RNA)
where:
Base-Base interactions energy: -162.296
where: short stacking energy: -67.726
Base-Backbone interact. energy: -0.104
local terms energy: -67.126540
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -12.872
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: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -225.662981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.662981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.662981 (E_RNA)
where:
Base-Base interactions energy: -157.689
where: short stacking energy: -68.717
Base-Backbone interact. energy: -0.099
local terms energy: -67.875443
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -18.963
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: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -213.647093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.647093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.647093 (E_RNA)
where:
Base-Base interactions energy: -149.435
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.074
local terms energy: -64.138011
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -211.698440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.698440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.698440 (E_RNA)
where:
Base-Base interactions energy: -148.294
where: short stacking energy: -68.337
Base-Backbone interact. energy: -0.000
local terms energy: -63.403939
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -75.417609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.417609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.417609 (E_RNA)
where:
Base-Base interactions energy: -30.206
where: short stacking energy: -22.701
Base-Backbone interact. energy: -0.248
local terms energy: -44.963324
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -249.977756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.977756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.977756 (E_RNA)
where:
Base-Base interactions energy: -170.763
where: short stacking energy: -75.534
Base-Backbone interact. energy: -0.239
local terms energy: -78.975347
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -241.337593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.337593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.337593 (E_RNA)
where:
Base-Base interactions energy: -167.011
where: short stacking energy: -69.788
Base-Backbone interact. energy: 0.817
local terms energy: -75.143781
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -242.338907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.338907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.338907 (E_RNA)
where:
Base-Base interactions energy: -166.673
where: short stacking energy: -73.416
Base-Backbone interact. energy: -1.336
local terms energy: -74.329815
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -20.128
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: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -236.738431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.738431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.738431 (E_RNA)
where:
Base-Base interactions energy: -163.920
where: short stacking energy: -70.359
Base-Backbone interact. energy: -0.043
local terms energy: -72.775063
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -234.910693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.910693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.910693 (E_RNA)
where:
Base-Base interactions energy: -161.584
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.089
local terms energy: -73.237669
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -17.975
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: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -227.922647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.922647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.922647 (E_RNA)
where:
Base-Base interactions energy: -161.419
where: short stacking energy: -71.735
Base-Backbone interact. energy: -0.491
local terms energy: -66.012400
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -8.670
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -12.457
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: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -220.562853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.562853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.562853 (E_RNA)
where:
Base-Base interactions energy: -158.718
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.099
local terms energy: -61.746021
where:
bonds (distance) C4'-P energy: -6.361
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -20.966
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: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -224.288522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.288522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.288522 (E_RNA)
where:
Base-Base interactions energy: -156.027
where: short stacking energy: -66.594
Base-Backbone interact. energy: -0.000
local terms energy: -68.261554
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -210.531243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.531243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.531243 (E_RNA)
where:
Base-Base interactions energy: -150.954
where: short stacking energy: -59.519
Base-Backbone interact. energy: -1.065
local terms energy: -58.512177
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -82.497651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.497651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.497651 (E_RNA)
where:
Base-Base interactions energy: -28.093
where: short stacking energy: -28.093
Base-Backbone interact. energy: -0.667
local terms energy: -53.737550
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -2.404
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: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -243.202843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.202843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.202843 (E_RNA)
where:
Base-Base interactions energy: -165.266
where: short stacking energy: -68.488
Base-Backbone interact. energy: 0.323
local terms energy: -78.259845
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -241.634554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.634554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.634554 (E_RNA)
where:
Base-Base interactions energy: -167.527
where: short stacking energy: -70.593
Base-Backbone interact. energy: -0.000
local terms energy: -74.107228
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -239.606529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.606529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.606529 (E_RNA)
where:
Base-Base interactions energy: -163.770
where: short stacking energy: -74.883
Base-Backbone interact. energy: -0.279
local terms energy: -75.557397
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.866
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: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -236.232427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.232427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.232427 (E_RNA)
where:
Base-Base interactions energy: -165.619
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.000
local terms energy: -70.612987
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -18.795
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: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -229.497196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.497196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.497196 (E_RNA)
where:
Base-Base interactions energy: -164.240
where: short stacking energy: -73.643
Base-Backbone interact. energy: -0.001
local terms energy: -65.256906
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -2.829
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -221.161086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.161086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.161086 (E_RNA)
where:
Base-Base interactions energy: -153.944
where: short stacking energy: -63.683
Base-Backbone interact. energy: -0.002
local terms energy: -67.215482
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -8.884
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: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -219.647943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.647943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.647943 (E_RNA)
where:
Base-Base interactions energy: -152.371
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.007
local terms energy: -67.270565
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -225.688073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.688073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.688073 (E_RNA)
where:
Base-Base interactions energy: -155.760
where: short stacking energy: -77.400
Base-Backbone interact. energy: -0.003
local terms energy: -69.925347
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -216.167464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.167464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.167464 (E_RNA)
where:
Base-Base interactions energy: -145.428
where: short stacking energy: -64.312
Base-Backbone interact. energy: -0.163
local terms energy: -70.577304
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -16.190
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: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -76.178464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.178464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.178464 (E_RNA)
where:
Base-Base interactions energy: -28.714
where: short stacking energy: -28.714
Base-Backbone interact. energy: -0.105
local terms energy: -47.359432
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -245.930344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.930344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.930344 (E_RNA)
where:
Base-Base interactions energy: -170.981
where: short stacking energy: -81.685
Base-Backbone interact. energy: -1.301
local terms energy: -73.648570
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -238.997370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.997370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.997370 (E_RNA)
where:
Base-Base interactions energy: -167.562
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.781
local terms energy: -70.654506
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -17.104
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: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -240.348689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.348689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.348689 (E_RNA)
where:
Base-Base interactions energy: -169.123
where: short stacking energy: -75.254
Base-Backbone interact. energy: -0.005
local terms energy: -71.221050
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -18.424
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: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -237.162284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.162284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.162284 (E_RNA)
where:
Base-Base interactions energy: -164.467
where: short stacking energy: -70.911
Base-Backbone interact. energy: -0.125
local terms energy: -72.569732
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -10.454
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: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -234.945818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.945818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.945818 (E_RNA)
where:
Base-Base interactions energy: -160.894
where: short stacking energy: -68.494
Base-Backbone interact. energy: -0.575
local terms energy: -73.477123
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -19.269
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: 429
Temperature: 1.150000
Total energy: -221.033531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.033531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.033531 (E_RNA)
where:
Base-Base interactions energy: -160.109
where: short stacking energy: -72.496
Base-Backbone interact. energy: -0.240
local terms energy: -60.683788
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -216.032259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.032259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.032259 (E_RNA)
where:
Base-Base interactions energy: -153.641
where: short stacking energy: -63.579
Base-Backbone interact. energy: -0.007
local terms energy: -62.384332
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -8.002
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -13.772
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: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -221.607824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.607824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.607824 (E_RNA)
where:
Base-Base interactions energy: -150.760
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.602
local terms energy: -70.245976
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -202.695922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.695922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.695922 (E_RNA)
where:
Base-Base interactions energy: -136.364
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.067
local terms energy: -66.264533
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -71.455991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.455991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.455991 (E_RNA)
where:
Base-Base interactions energy: -33.637
where: short stacking energy: -33.637
Base-Backbone interact. energy: -0.183
local terms energy: -37.636031
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: 1.173
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: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -239.587435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.587435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.587435 (E_RNA)
where:
Base-Base interactions energy: -162.366
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.163
local terms energy: -77.058053
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -244.918274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.918274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.918274 (E_RNA)
where:
Base-Base interactions energy: -170.335
where: short stacking energy: -77.952
Base-Backbone interact. energy: -0.575
local terms energy: -74.008051
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -19.796
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: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -236.315501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.315501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.315501 (E_RNA)
where:
Base-Base interactions energy: -161.079
where: short stacking energy: -76.781
Base-Backbone interact. energy: -0.029
local terms energy: -75.207958
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -240.056248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.056248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.056248 (E_RNA)
where:
Base-Base interactions energy: -166.344
where: short stacking energy: -79.503
Base-Backbone interact. energy: -0.242
local terms energy: -73.470311
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -19.212
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: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -223.907308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.907308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.907308 (E_RNA)
where:
Base-Base interactions energy: -154.026
where: short stacking energy: -71.170
Base-Backbone interact. energy: -0.038
local terms energy: -69.842942
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -17.034
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: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -226.198835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.198835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.198835 (E_RNA)
where:
Base-Base interactions energy: -153.931
where: short stacking energy: -67.705
Base-Backbone interact. energy: -0.167
local terms energy: -72.100858
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -19.858
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: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -219.919197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.919197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.919197 (E_RNA)
where:
Base-Base interactions energy: -148.285
where: short stacking energy: -61.630
Base-Backbone interact. energy: -0.342
local terms energy: -71.292305
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -205.574085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.574085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.574085 (E_RNA)
where:
Base-Base interactions energy: -139.365
where: short stacking energy: -64.657
Base-Backbone interact. energy: -0.136
local terms energy: -66.072790
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -11.764
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: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -219.444231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.444231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.444231 (E_RNA)
where:
Base-Base interactions energy: -153.771
where: short stacking energy: -67.205
Base-Backbone interact. energy: -0.002
local terms energy: -65.671766
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -18.144
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: 2
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -73.612259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.612259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.612259 (E_RNA)
where:
Base-Base interactions energy: -32.120
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.369
local terms energy: -41.123257
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -1.844
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: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -249.654540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.654540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.654540 (E_RNA)
where:
Base-Base interactions energy: -175.645
where: short stacking energy: -72.148
Base-Backbone interact. energy: 0.977
local terms energy: -74.986180
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -12.425
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: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -238.902897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.902897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.902897 (E_RNA)
where:
Base-Base interactions energy: -162.894
where: short stacking energy: -75.486
Base-Backbone interact. energy: -0.000
local terms energy: -76.008574
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -21.683
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: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -231.060022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.060022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.060022 (E_RNA)
where:
Base-Base interactions energy: -160.870
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.002
local terms energy: -70.188485
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -19.619
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: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -232.074329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.074329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.074329 (E_RNA)
where:
Base-Base interactions energy: -161.694
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.099
local terms energy: -70.280979
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -232.671983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.671983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.671983 (E_RNA)
where:
Base-Base interactions energy: -162.393
where: short stacking energy: -76.133
Base-Backbone interact. energy: -0.418
local terms energy: -69.861120
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -8.218
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -222.705264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.705264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.705264 (E_RNA)
where:
Base-Base interactions energy: -162.533
where: short stacking energy: -64.834
Base-Backbone interact. energy: -0.103
local terms energy: -60.069792
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -6.205
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: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -222.975233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.975233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.975233 (E_RNA)
where:
Base-Base interactions energy: -151.911
where: short stacking energy: -64.816
Base-Backbone interact. energy: -0.292
local terms energy: -70.771835
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -18.342
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: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -222.116060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.116060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.116060 (E_RNA)
where:
Base-Base interactions energy: -147.124
where: short stacking energy: -70.211
Base-Backbone interact. energy: -0.003
local terms energy: -74.988828
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -21.120
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: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -214.183218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.183218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.183218 (E_RNA)
where:
Base-Base interactions energy: -149.303
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.773
local terms energy: -64.107041
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -11.384
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: 10, replica: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -75.995853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.995853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.995853 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.077
local terms energy: -40.299729
where:
bonds (distance) C4'-P energy: -8.150
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -242.829979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.829979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.829979 (E_RNA)
where:
Base-Base interactions energy: -166.545
where: short stacking energy: -74.941
Base-Backbone interact. energy: -0.002
local terms energy: -76.283786
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -241.634921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.634921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.634921 (E_RNA)
where:
Base-Base interactions energy: -162.535
where: short stacking energy: -70.472
Base-Backbone interact. energy: -1.633
local terms energy: -77.467017
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -239.678361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.678361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.678361 (E_RNA)
where:
Base-Base interactions energy: -159.674
where: short stacking energy: -66.993
Base-Backbone interact. energy: -0.612
local terms energy: -79.392667
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -239.924195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.924195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.924195 (E_RNA)
where:
Base-Base interactions energy: -166.431
where: short stacking energy: -66.058
Base-Backbone interact. energy: -0.503
local terms energy: -72.990851
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -228.540791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.540791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.540791 (E_RNA)
where:
Base-Base interactions energy: -162.739
where: short stacking energy: -65.842
Base-Backbone interact. energy: -0.177
local terms energy: -65.625116
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -223.647039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.647039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.647039 (E_RNA)
where:
Base-Base interactions energy: -161.094
where: short stacking energy: -64.506
Base-Backbone interact. energy: -0.706
local terms energy: -61.846906
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -11.619
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: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -228.014411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.014411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.014411 (E_RNA)
where:
Base-Base interactions energy: -155.756
where: short stacking energy: -71.600
Base-Backbone interact. energy: -0.189
local terms energy: -72.069977
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -208.532166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.532166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.532166 (E_RNA)
where:
Base-Base interactions energy: -146.669
where: short stacking energy: -63.462
Base-Backbone interact. energy: -0.082
local terms energy: -61.781265
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -8.079
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -200.865070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.865070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.865070 (E_RNA)
where:
Base-Base interactions energy: -144.618
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.195
local terms energy: -56.052174
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -7.920
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: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -77.304333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.304333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.304333 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -36.301
Base-Backbone interact. energy: -0.024
local terms energy: -40.979259
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -5.689
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -248.161399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.161399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.161399 (E_RNA)
where:
Base-Base interactions energy: -172.402
where: short stacking energy: -71.443
Base-Backbone interact. energy: -0.001
local terms energy: -75.759120
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -20.029
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: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -245.391360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.391360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.391360 (E_RNA)
where:
Base-Base interactions energy: -166.987
where: short stacking energy: -78.956
Base-Backbone interact. energy: 0.350
local terms energy: -78.754193
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -20.176
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: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -238.592454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.592454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.592454 (E_RNA)
where:
Base-Base interactions energy: -163.529
where: short stacking energy: -71.228
Base-Backbone interact. energy: -0.003
local terms energy: -75.060442
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -234.386265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.386265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.386265 (E_RNA)
where:
Base-Base interactions energy: -162.288
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.003
local terms energy: -72.095510
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -227.835208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.835208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.835208 (E_RNA)
where:
Base-Base interactions energy: -160.188
where: short stacking energy: -70.025
Base-Backbone interact. energy: -0.017
local terms energy: -67.630977
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.038
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: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -215.970962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.970962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.970962 (E_RNA)
where:
Base-Base interactions energy: -145.551
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.359
local terms energy: -70.060624
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -209.772014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.772014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.772014 (E_RNA)
where:
Base-Base interactions energy: -145.515
where: short stacking energy: -58.397
Base-Backbone interact. energy: -0.047
local terms energy: -64.210197
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -220.235246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.235246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.235246 (E_RNA)
where:
Base-Base interactions energy: -152.586
where: short stacking energy: -76.923
Base-Backbone interact. energy: -0.729
local terms energy: -66.920288
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -8.028
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: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -203.205285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.205285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.205285 (E_RNA)
where:
Base-Base interactions energy: -143.850
where: short stacking energy: -60.218
Base-Backbone interact. energy: -0.218
local terms energy: -59.137508
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -7.181
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -18.569
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: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -78.341278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.341278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.341278 (E_RNA)
where:
Base-Base interactions energy: -28.996
where: short stacking energy: -28.108
Base-Backbone interact. energy: 1.896
local terms energy: -51.241637
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -243.668272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.668272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.668272 (E_RNA)
where:
Base-Base interactions energy: -170.433
where: short stacking energy: -77.748
Base-Backbone interact. energy: -0.123
local terms energy: -73.112742
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -243.043806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.043806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.043806 (E_RNA)
where:
Base-Base interactions energy: -167.323
where: short stacking energy: -82.543
Base-Backbone interact. energy: -1.126
local terms energy: -74.594366
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -235.128252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.128252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.128252 (E_RNA)
where:
Base-Base interactions energy: -160.389
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.428
local terms energy: -74.311035
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -17.456
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: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -235.776695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.776695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.776695 (E_RNA)
where:
Base-Base interactions energy: -159.509
where: short stacking energy: -77.507
Base-Backbone interact. energy: -1.372
local terms energy: -74.895738
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -222.081264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.081264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.081264 (E_RNA)
where:
Base-Base interactions energy: -153.508
where: short stacking energy: -59.557
Base-Backbone interact. energy: -0.179
local terms energy: -68.394226
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -12.075
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: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -228.556827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.556827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.556827 (E_RNA)
where:
Base-Base interactions energy: -157.099
where: short stacking energy: -65.364
Base-Backbone interact. energy: -0.772
local terms energy: -70.685946
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -227.994697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.994697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.994697 (E_RNA)
where:
Base-Base interactions energy: -162.396
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.483
local terms energy: -65.114775
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -7.150
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -20.321
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: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -214.562629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.562629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.562629 (E_RNA)
where:
Base-Base interactions energy: -148.311
where: short stacking energy: -61.295
Base-Backbone interact. energy: -0.104
local terms energy: -66.147193
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -217.917284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.917284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.917284 (E_RNA)
where:
Base-Base interactions energy: -159.198
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.317
local terms energy: -58.402285
where:
bonds (distance) C4'-P energy: -6.474
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -8.544
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: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -83.250476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.250476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.250476 (E_RNA)
where:
Base-Base interactions energy: -30.966
where: short stacking energy: -30.966
Base-Backbone interact. energy: -0.002
local terms energy: -52.283027
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -248.662969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.662969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.662969 (E_RNA)
where:
Base-Base interactions energy: -173.862
where: short stacking energy: -79.915
Base-Backbone interact. energy: -0.714
local terms energy: -74.086884
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -242.948929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.948929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.948929 (E_RNA)
where:
Base-Base interactions energy: -165.183
where: short stacking energy: -76.648
Base-Backbone interact. energy: -0.302
local terms energy: -77.464525
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -235.687955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.687955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.687955 (E_RNA)
where:
Base-Base interactions energy: -164.446
where: short stacking energy: -71.250
Base-Backbone interact. energy: -1.698
local terms energy: -69.544294
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -236.395288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.395288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.395288 (E_RNA)
where:
Base-Base interactions energy: -161.864
where: short stacking energy: -68.529
Base-Backbone interact. energy: -0.303
local terms energy: -74.228254
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -227.506283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.506283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.506283 (E_RNA)
where:
Base-Base interactions energy: -154.731
where: short stacking energy: -67.224
Base-Backbone interact. energy: -0.008
local terms energy: -72.767671
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -215.847699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.847699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.847699 (E_RNA)
where:
Base-Base interactions energy: -148.606
where: short stacking energy: -69.165
Base-Backbone interact. energy: -0.162
local terms energy: -67.079241
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -10.069
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: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -216.689325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.689325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.689325 (E_RNA)
where:
Base-Base interactions energy: -149.855
where: short stacking energy: -65.776
Base-Backbone interact. energy: -0.865
local terms energy: -65.970000
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -17.476
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: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -210.327633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.327633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.327633 (E_RNA)
where:
Base-Base interactions energy: -143.368
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.593
local terms energy: -66.366904
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -205.334572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.334572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.334572 (E_RNA)
where:
Base-Base interactions energy: -146.988
where: short stacking energy: -59.025
Base-Backbone interact. energy: -0.501
local terms energy: -57.846220
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -8.536
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.388
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: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -72.210149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.210149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.210149 (E_RNA)
where:
Base-Base interactions energy: -31.438
where: short stacking energy: -22.212
Base-Backbone interact. energy: -0.367
local terms energy: -40.404548
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -5.386
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -247.626517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.626517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.626517 (E_RNA)
where:
Base-Base interactions energy: -170.332
where: short stacking energy: -71.145
Base-Backbone interact. energy: -0.015
local terms energy: -77.279658
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -244.806960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.806960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.806960 (E_RNA)
where:
Base-Base interactions energy: -175.897
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.002
local terms energy: -68.907940
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -237.455462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.455462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.455462 (E_RNA)
where:
Base-Base interactions energy: -167.535
where: short stacking energy: -73.526
Base-Backbone interact. energy: 1.090
local terms energy: -71.011265
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -17.789
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: 436
Temperature: 1.050000
Total energy: -240.151438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.151438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.151438 (E_RNA)
where:
Base-Base interactions energy: -166.820
where: short stacking energy: -77.454
Base-Backbone interact. energy: -0.016
local terms energy: -73.315753
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -20.756
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: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -228.026677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.026677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.026677 (E_RNA)
where:
Base-Base interactions energy: -154.729
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.366
local terms energy: -72.931814
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -233.299021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.299021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.299021 (E_RNA)
where:
Base-Base interactions energy: -163.220
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.074
local terms energy: -70.005029
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -209.549777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549777 (E_RNA)
where:
Base-Base interactions energy: -152.053
where: short stacking energy: -56.450
Base-Backbone interact. energy: -0.189
local terms energy: -57.307923
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -11.087
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: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -221.210785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.210785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.210785 (E_RNA)
where:
Base-Base interactions energy: -151.987
where: short stacking energy: -68.958
Base-Backbone interact. energy: -0.750
local terms energy: -68.474235
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -10.608
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: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -211.017982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.017982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.017982 (E_RNA)
where:
Base-Base interactions energy: -142.428
where: short stacking energy: -59.333
Base-Backbone interact. energy: -0.604
local terms energy: -67.985605
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -15.626
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: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -75.937962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.937962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.937962 (E_RNA)
where:
Base-Base interactions energy: -22.970
where: short stacking energy: -19.915
Base-Backbone interact. energy: -0.766
local terms energy: -52.201974
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: 1.407
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: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -244.534791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.534791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.534791 (E_RNA)
where:
Base-Base interactions energy: -169.712
where: short stacking energy: -72.377
Base-Backbone interact. energy: -0.209
local terms energy: -74.613447
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -242.026733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.026733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.026733 (E_RNA)
where:
Base-Base interactions energy: -160.653
where: short stacking energy: -70.274
Base-Backbone interact. energy: -0.085
local terms energy: -81.288460
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -19.339
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: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -234.412306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.412306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.412306 (E_RNA)
where:
Base-Base interactions energy: -166.068
where: short stacking energy: -65.179
Base-Backbone interact. energy: -0.101
local terms energy: -68.242744
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -15.712
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: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -236.385055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.385055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.385055 (E_RNA)
where:
Base-Base interactions energy: -162.087
where: short stacking energy: -76.751
Base-Backbone interact. energy: 0.253
local terms energy: -74.550956
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -218.499298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.499298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.499298 (E_RNA)
where:
Base-Base interactions energy: -149.279
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.715
local terms energy: -68.504447
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -11.934
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: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -216.326426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.326426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.326426 (E_RNA)
where:
Base-Base interactions energy: -149.178
where: short stacking energy: -65.719
Base-Backbone interact. energy: -0.304
local terms energy: -66.843915
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -7.335
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -19.270
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: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -214.384866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.384866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.384866 (E_RNA)
where:
Base-Base interactions energy: -151.506
where: short stacking energy: -58.902
Base-Backbone interact. energy: -0.136
local terms energy: -62.742717
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -9.564
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -11.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -226.900790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.900790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.900790 (E_RNA)
where:
Base-Base interactions energy: -159.703
where: short stacking energy: -65.208
Base-Backbone interact. energy: -0.001
local terms energy: -67.196882
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -6.009
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: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -209.071128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.071128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.071128 (E_RNA)
where:
Base-Base interactions energy: -142.614
where: short stacking energy: -58.190
Base-Backbone interact. energy: -0.531
local terms energy: -65.925991
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.621
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: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -83.253526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.253526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.253526 (E_RNA)
where:
Base-Base interactions energy: -33.967
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.113
local terms energy: -49.173102
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -243.821758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.821758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.821758 (E_RNA)
where:
Base-Base interactions energy: -176.924
where: short stacking energy: -74.316
Base-Backbone interact. energy: -0.901
local terms energy: -65.997277
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -238.932367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.932367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.932367 (E_RNA)
where:
Base-Base interactions energy: -161.027
where: short stacking energy: -65.534
Base-Backbone interact. energy: -0.000
local terms energy: -77.904605
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -19.747
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: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -238.993521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.993521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.993521 (E_RNA)
where:
Base-Base interactions energy: -167.164
where: short stacking energy: -67.534
Base-Backbone interact. energy: -0.215
local terms energy: -71.614508
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -238.936274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.936274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.936274 (E_RNA)
where:
Base-Base interactions energy: -165.137
where: short stacking energy: -74.283
Base-Backbone interact. energy: -0.280
local terms energy: -73.520098
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -22.665
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: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -238.104863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.104863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.104863 (E_RNA)
where:
Base-Base interactions energy: -162.988
where: short stacking energy: -74.290
Base-Backbone interact. energy: -0.000
local terms energy: -75.116917
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -217.843254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.843254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.843254 (E_RNA)
where:
Base-Base interactions energy: -153.935
where: short stacking energy: -66.405
Base-Backbone interact. energy: -0.063
local terms energy: -63.845755
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -8.441
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: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -227.834146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.834146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.834146 (E_RNA)
where:
Base-Base interactions energy: -160.364
where: short stacking energy: -74.326
Base-Backbone interact. energy: -0.751
local terms energy: -66.719528
where:
bonds (distance) C4'-P energy: -7.278
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -216.868990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.868990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.868990 (E_RNA)
where:
Base-Base interactions energy: -149.285
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.444
local terms energy: -67.139838
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -209.188854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.188854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.188854 (E_RNA)
where:
Base-Base interactions energy: -150.583
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.123
local terms energy: -58.483592
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -3.903
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: 10, replica: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -83.293029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.293029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.293029 (E_RNA)
where:
Base-Base interactions energy: -30.646
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.323
local terms energy: -52.324254
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -0.658
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: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -244.584350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.584350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.584350 (E_RNA)
where:
Base-Base interactions energy: -171.797
where: short stacking energy: -70.441
Base-Backbone interact. energy: -0.208
local terms energy: -72.580064
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -246.426832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.426832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.426832 (E_RNA)
where:
Base-Base interactions energy: -168.554
where: short stacking energy: -74.788
Base-Backbone interact. energy: -0.682
local terms energy: -77.190066
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -240.021082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.021082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.021082 (E_RNA)
where:
Base-Base interactions energy: -172.885
where: short stacking energy: -75.715
Base-Backbone interact. energy: -0.350
local terms energy: -66.786040
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -8.214
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -237.327748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.327748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.327748 (E_RNA)
where:
Base-Base interactions energy: -158.134
where: short stacking energy: -76.251
Base-Backbone interact. energy: -0.414
local terms energy: -78.779495
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -230.375892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.375892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.375892 (E_RNA)
where:
Base-Base interactions energy: -159.682
where: short stacking energy: -73.754
Base-Backbone interact. energy: -0.321
local terms energy: -70.372193
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -22.080
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: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -222.073270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.073270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.073270 (E_RNA)
where:
Base-Base interactions energy: -156.155
where: short stacking energy: -69.763
Base-Backbone interact. energy: -0.019
local terms energy: -65.899086
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -16.960
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: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -228.631041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.631041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.631041 (E_RNA)
where:
Base-Base interactions energy: -158.477
where: short stacking energy: -70.990
Base-Backbone interact. energy: -0.502
local terms energy: -69.652409
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -11.465
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: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -226.382550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.382550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.382550 (E_RNA)
where:
Base-Base interactions energy: -157.438
where: short stacking energy: -72.951
Base-Backbone interact. energy: -0.008
local terms energy: -68.936799
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -7.236
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -21.370
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: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -215.467675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.467675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.467675 (E_RNA)
where:
Base-Base interactions energy: -156.953
where: short stacking energy: -69.356
Base-Backbone interact. energy: -0.113
local terms energy: -58.400833
where:
bonds (distance) C4'-P energy: -7.551
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -6.491
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: 10, replica: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -72.959730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.959730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.959730 (E_RNA)
where:
Base-Base interactions energy: -25.177
where: short stacking energy: -25.177
Base-Backbone interact. energy: -0.086
local terms energy: -47.696924
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -9.153
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -5.047
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: 1, replica: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -245.186158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.186158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.186158 (E_RNA)
where:
Base-Base interactions energy: -170.509
where: short stacking energy: -69.640
Base-Backbone interact. energy: -0.012
local terms energy: -74.665047
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -19.264
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: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -238.758505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.758505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.758505 (E_RNA)
where:
Base-Base interactions energy: -164.173
where: short stacking energy: -66.695
Base-Backbone interact. energy: -0.057
local terms energy: -74.528639
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -243.233662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.233662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.233662 (E_RNA)
where:
Base-Base interactions energy: -166.436
where: short stacking energy: -80.048
Base-Backbone interact. energy: -0.301
local terms energy: -76.496560
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -20.523
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: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -237.005217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.005217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.005217 (E_RNA)
where:
Base-Base interactions energy: -159.308
where: short stacking energy: -74.030
Base-Backbone interact. energy: -0.206
local terms energy: -77.490321
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -19.182
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: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -241.014416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.014416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.014416 (E_RNA)
where:
Base-Base interactions energy: -166.372
where: short stacking energy: -75.197
Base-Backbone interact. energy: -2.097
local terms energy: -72.545336
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -19.228
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: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -221.695458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.695458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.695458 (E_RNA)
where:
Base-Base interactions energy: -153.229
where: short stacking energy: -71.865
Base-Backbone interact. energy: -0.033
local terms energy: -68.433918
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -19.067
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: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -219.913722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.913722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.913722 (E_RNA)
where:
Base-Base interactions energy: -153.809
where: short stacking energy: -68.507
Base-Backbone interact. energy: -0.013
local terms energy: -66.091507
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -214.485565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.485565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.485565 (E_RNA)
where:
Base-Base interactions energy: -151.155
where: short stacking energy: -59.161
Base-Backbone interact. energy: -0.844
local terms energy: -62.487058
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -214.588651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.588651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.588651 (E_RNA)
where:
Base-Base interactions energy: -148.368
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.107
local terms energy: -66.113661
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -10.681
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: 10, replica: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -74.878564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.878564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.878564 (E_RNA)
where:
Base-Base interactions energy: -26.862
where: short stacking energy: -25.970
Base-Backbone interact. energy: 0.358
local terms energy: -48.373898
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -246.315804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.315804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.315804 (E_RNA)
where:
Base-Base interactions energy: -167.219
where: short stacking energy: -79.895
Base-Backbone interact. energy: -0.149
local terms energy: -78.948558
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -243.626141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.626141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.626141 (E_RNA)
where:
Base-Base interactions energy: -166.875
where: short stacking energy: -74.213
Base-Backbone interact. energy: -1.133
local terms energy: -75.618294
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -237.941051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.941051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.941051 (E_RNA)
where:
Base-Base interactions energy: -170.963
where: short stacking energy: -72.670
Base-Backbone interact. energy: -0.171
local terms energy: -66.807091
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -241.901548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.901548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.901548 (E_RNA)
where:
Base-Base interactions energy: -160.943
where: short stacking energy: -74.282
Base-Backbone interact. energy: -0.124
local terms energy: -80.834100
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -238.693794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.693794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.693794 (E_RNA)
where:
Base-Base interactions energy: -167.657
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.004
local terms energy: -71.033039
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -231.713508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.713508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.713508 (E_RNA)
where:
Base-Base interactions energy: -157.836
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.001
local terms energy: -73.876678
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -18.463
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: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -219.655885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.655885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.655885 (E_RNA)
where:
Base-Base interactions energy: -162.142
where: short stacking energy: -69.539
Base-Backbone interact. energy: -0.012
local terms energy: -57.501717
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -8.463
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -216.350689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.350689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.350689 (E_RNA)
where:
Base-Base interactions energy: -148.707
where: short stacking energy: -61.745
Base-Backbone interact. energy: -0.007
local terms energy: -67.636508
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -17.357
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: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -214.450831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.450831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.450831 (E_RNA)
where:
Base-Base interactions energy: -140.802
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.004
local terms energy: -73.645152
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -19.715
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: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -102.655081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.655081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.655081 (E_RNA)
where:
Base-Base interactions energy: -49.332
where: short stacking energy: -31.751
Base-Backbone interact. energy: 0.574
local terms energy: -53.896455
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -7.386
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: 8
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -243.818778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.818778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.818778 (E_RNA)
where:
Base-Base interactions energy: -164.249
where: short stacking energy: -71.660
Base-Backbone interact. energy: -0.001
local terms energy: -79.568177
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -19.992
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: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -242.333019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.333019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.333019 (E_RNA)
where:
Base-Base interactions energy: -164.275
where: short stacking energy: -70.317
Base-Backbone interact. energy: -0.851
local terms energy: -77.207475
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -232.903053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.903053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.903053 (E_RNA)
where:
Base-Base interactions energy: -160.702
where: short stacking energy: -75.817
Base-Backbone interact. energy: -0.003
local terms energy: -72.198297
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -18.814
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: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -232.103904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.103904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.103904 (E_RNA)
where:
Base-Base interactions energy: -160.592
where: short stacking energy: -57.227
Base-Backbone interact. energy: -0.668
local terms energy: -70.843672
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -226.914555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.914555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.914555 (E_RNA)
where:
Base-Base interactions energy: -162.536
where: short stacking energy: -67.347
Base-Backbone interact. energy: -1.009
local terms energy: -63.369974
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -225.499650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.499650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.499650 (E_RNA)
where:
Base-Base interactions energy: -164.666
where: short stacking energy: -61.732
Base-Backbone interact. energy: -1.058
local terms energy: -59.774995
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -7.640
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.268
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: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -226.533646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.533646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.533646 (E_RNA)
where:
Base-Base interactions energy: -163.196
where: short stacking energy: -75.784
Base-Backbone interact. energy: -0.000
local terms energy: -63.337634
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -17.904
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: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -210.545001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.545001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.545001 (E_RNA)
where:
Base-Base interactions energy: -148.089
where: short stacking energy: -64.392
Base-Backbone interact. energy: -0.086
local terms energy: -62.369395
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -106.205539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.205539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.205539 (E_RNA)
where:
Base-Base interactions energy: -53.147
where: short stacking energy: -36.080
Base-Backbone interact. energy: -0.247
local terms energy: -52.811181
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -213.330354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.330354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.330354 (E_RNA)
where:
Base-Base interactions energy: -150.895
where: short stacking energy: -63.675
Base-Backbone interact. energy: -0.140
local terms energy: -62.295161
where:
bonds (distance) C4'-P energy: -6.557
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.458
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: 1, replica: 8
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -246.582126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.582126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.582126 (E_RNA)
where:
Base-Base interactions energy: -171.754
where: short stacking energy: -76.666
Base-Backbone interact. energy: -0.001
local terms energy: -74.826594
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -240.230347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.230347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.230347 (E_RNA)
where:
Base-Base interactions energy: -171.778
where: short stacking energy: -70.926
Base-Backbone interact. energy: -0.025
local terms energy: -68.427587
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -236.795293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.795293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.795293 (E_RNA)
where:
Base-Base interactions energy: -158.706
where: short stacking energy: -78.553
Base-Backbone interact. energy: -0.104
local terms energy: -77.985003
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -228.420681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.420681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.420681 (E_RNA)
where:
Base-Base interactions energy: -156.728
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.181
local terms energy: -71.512145
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -224.066441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.066441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.066441 (E_RNA)
where:
Base-Base interactions energy: -159.982
where: short stacking energy: -64.219
Base-Backbone interact. energy: -0.617
local terms energy: -63.466920
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -5.929
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: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -227.213140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.213140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.213140 (E_RNA)
where:
Base-Base interactions energy: -160.180
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.005
local terms energy: -67.028352
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -19.708
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: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -224.881078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.881078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.881078 (E_RNA)
where:
Base-Base interactions energy: -164.814
where: short stacking energy: -55.620
Base-Backbone interact. energy: -0.733
local terms energy: -59.334309
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -220.972594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.972594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.972594 (E_RNA)
where:
Base-Base interactions energy: -156.853
where: short stacking energy: -67.638
Base-Backbone interact. energy: -1.655
local terms energy: -62.464827
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -19.353
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: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -98.265880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.265880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.265880 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -36.416
Base-Backbone interact. energy: -0.070
local terms energy: -61.779194
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -209.749929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.749929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.749929 (E_RNA)
where:
Base-Base interactions energy: -146.339
where: short stacking energy: -60.402
Base-Backbone interact. energy: -0.092
local terms energy: -63.318801
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -247.725652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.725652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.725652 (E_RNA)
where:
Base-Base interactions energy: -172.305
where: short stacking energy: -75.868
Base-Backbone interact. energy: -0.002
local terms energy: -75.418159
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -10.618
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: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -249.726923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.726923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.726923 (E_RNA)
where:
Base-Base interactions energy: -170.835
where: short stacking energy: -77.147
Base-Backbone interact. energy: -0.174
local terms energy: -78.718629
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -238.869125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.869125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.869125 (E_RNA)
where:
Base-Base interactions energy: -161.703
where: short stacking energy: -73.710
Base-Backbone interact. energy: -0.061
local terms energy: -77.104988
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -232.132024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.132024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.132024 (E_RNA)
where:
Base-Base interactions energy: -163.676
where: short stacking energy: -71.457
Base-Backbone interact. energy: -0.004
local terms energy: -68.452291
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -22.048
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: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -229.597938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.597938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.597938 (E_RNA)
where:
Base-Base interactions energy: -157.218
where: short stacking energy: -69.477
Base-Backbone interact. energy: 2.640
local terms energy: -75.020157
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -221.840461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.840461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.840461 (E_RNA)
where:
Base-Base interactions energy: -158.924
where: short stacking energy: -69.014
Base-Backbone interact. energy: -0.164
local terms energy: -62.753070
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -7.949
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: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -231.105130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.105130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.105130 (E_RNA)
where:
Base-Base interactions energy: -164.901
where: short stacking energy: -76.426
Base-Backbone interact. energy: -0.001
local terms energy: -66.203028
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -209.649832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.649832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.649832 (E_RNA)
where:
Base-Base interactions energy: -142.093
where: short stacking energy: -60.573
Base-Backbone interact. energy: -0.033
local terms energy: -67.523983
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -9.842
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: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -214.302038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.302038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.302038 (E_RNA)
where:
Base-Base interactions energy: -153.915
where: short stacking energy: -61.727
Base-Backbone interact. energy: -0.326
local terms energy: -60.060937
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -12.702
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: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -70.486077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.486077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.486077 (E_RNA)
where:
Base-Base interactions energy: -24.067
where: short stacking energy: -18.465
Base-Backbone interact. energy: -0.201
local terms energy: -46.217520
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: 3.106
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: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -249.034469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.034469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.034469 (E_RNA)
where:
Base-Base interactions energy: -166.709
where: short stacking energy: -75.939
Base-Backbone interact. energy: -0.000
local terms energy: -82.325109
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -21.090
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: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -239.014532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.014532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.014532 (E_RNA)
where:
Base-Base interactions energy: -158.915
where: short stacking energy: -68.857
Base-Backbone interact. energy: -0.066
local terms energy: -80.033199
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -19.191
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: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -244.718643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.718643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.718643 (E_RNA)
where:
Base-Base interactions energy: -167.706
where: short stacking energy: -80.243
Base-Backbone interact. energy: -0.014
local terms energy: -76.998577
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -228.133539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.133539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.133539 (E_RNA)
where:
Base-Base interactions energy: -161.148
where: short stacking energy: -76.939
Base-Backbone interact. energy: -0.007
local terms energy: -66.978721
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -18.691
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: 445
Temperature: 1.100000
Total energy: -233.593726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.593726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.593726 (E_RNA)
where:
Base-Base interactions energy: -155.643
where: short stacking energy: -79.314
Base-Backbone interact. energy: -0.305
local terms energy: -77.645627
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -232.777792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.777792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.777792 (E_RNA)
where:
Base-Base interactions energy: -160.270
where: short stacking energy: -73.420
Base-Backbone interact. energy: -0.492
local terms energy: -72.015499
where:
bonds (distance) C4'-P energy: -8.686
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -214.715973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.715973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.715973 (E_RNA)
where:
Base-Base interactions energy: -151.065
where: short stacking energy: -65.643
Base-Backbone interact. energy: -0.327
local terms energy: -63.324851
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -9.627
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: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -222.474151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.474151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.474151 (E_RNA)
where:
Base-Base interactions energy: -154.191
where: short stacking energy: -72.818
Base-Backbone interact. energy: 0.182
local terms energy: -68.465795
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -206.468126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.468126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.468126 (E_RNA)
where:
Base-Base interactions energy: -146.743
where: short stacking energy: -66.462
Base-Backbone interact. energy: -0.035
local terms energy: -59.690704
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -9.002
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -75.283290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.283290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.283290 (E_RNA)
where:
Base-Base interactions energy: -31.938
where: short stacking energy: -31.724
Base-Backbone interact. energy: -0.347
local terms energy: -42.998500
where:
bonds (distance) C4'-P energy: -6.810
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -245.800192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.800192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.800192 (E_RNA)
where:
Base-Base interactions energy: -169.017
where: short stacking energy: -80.678
Base-Backbone interact. energy: -1.857
local terms energy: -74.926418
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -240.197186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.197186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.197186 (E_RNA)
where:
Base-Base interactions energy: -164.467
where: short stacking energy: -68.691
Base-Backbone interact. energy: -1.803
local terms energy: -73.926561
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -243.361568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.361568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.361568 (E_RNA)
where:
Base-Base interactions energy: -166.875
where: short stacking energy: -73.290
Base-Backbone interact. energy: -0.003
local terms energy: -76.484280
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -16.945
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: 446
Temperature: 1.050000
Total energy: -231.522658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.522658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.522658 (E_RNA)
where:
Base-Base interactions energy: -156.668
where: short stacking energy: -72.015
Base-Backbone interact. energy: -0.001
local terms energy: -74.853070
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -230.221301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.221301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.221301 (E_RNA)
where:
Base-Base interactions energy: -162.308
where: short stacking energy: -71.286
Base-Backbone interact. energy: -0.242
local terms energy: -67.671073
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -227.085785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.085785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.085785 (E_RNA)
where:
Base-Base interactions energy: -155.059
where: short stacking energy: -70.544
Base-Backbone interact. energy: -0.534
local terms energy: -71.493063
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -217.409297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.409297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.409297 (E_RNA)
where:
Base-Base interactions energy: -147.275
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.041
local terms energy: -70.093082
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -218.598009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.598009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.598009 (E_RNA)
where:
Base-Base interactions energy: -150.634
where: short stacking energy: -65.836
Base-Backbone interact. energy: 0.052
local terms energy: -68.016119
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -17.422
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: 446
Temperature: 1.300000
Total energy: -207.900983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.900983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.900983 (E_RNA)
where:
Base-Base interactions energy: -148.450
where: short stacking energy: -69.667
Base-Backbone interact. energy: -0.001
local terms energy: -59.450630
where:
bonds (distance) C4'-P energy: -7.220
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -17.898
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: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -72.606293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.606293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.606293 (E_RNA)
where:
Base-Base interactions energy: -27.146
where: short stacking energy: -27.146
Base-Backbone interact. energy: -0.149
local terms energy: -45.311329
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -7.453
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -243.932005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.932005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.932005 (E_RNA)
where:
Base-Base interactions energy: -169.872
where: short stacking energy: -80.164
Base-Backbone interact. energy: -0.044
local terms energy: -74.016092
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -20.744
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: 2, replica: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -239.863338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.863338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.863338 (E_RNA)
where:
Base-Base interactions energy: -173.848
where: short stacking energy: -72.064
Base-Backbone interact. energy: -0.024
local terms energy: -65.991114
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -10.657
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: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -238.198241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.198241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.198241 (E_RNA)
where:
Base-Base interactions energy: -163.591
where: short stacking energy: -68.808
Base-Backbone interact. energy: -0.713
local terms energy: -73.894830
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -234.805093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.805093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.805093 (E_RNA)
where:
Base-Base interactions energy: -169.075
where: short stacking energy: -72.380
Base-Backbone interact. energy: -0.820
local terms energy: -64.910563
where:
bonds (distance) C4'-P energy: -7.442
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -228.456722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.456722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.456722 (E_RNA)
where:
Base-Base interactions energy: -158.821
where: short stacking energy: -68.097
Base-Backbone interact. energy: -0.094
local terms energy: -69.541878
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -228.197448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.197448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.197448 (E_RNA)
where:
Base-Base interactions energy: -159.879
where: short stacking energy: -72.521
Base-Backbone interact. energy: -0.000
local terms energy: -68.318399
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -19.872
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: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -218.878589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.878589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.878589 (E_RNA)
where:
Base-Base interactions energy: -153.859
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.478
local terms energy: -64.541350
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -211.776625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.776625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.776625 (E_RNA)
where:
Base-Base interactions energy: -146.716
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.060
local terms energy: -65.000003
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -15.423
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: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -208.118333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.118333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.118333 (E_RNA)
where:
Base-Base interactions energy: -147.935
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.320
local terms energy: -59.864193
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -17.124
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: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -79.801428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.801428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.801428 (E_RNA)
where:
Base-Base interactions energy: -28.771
where: short stacking energy: -22.248
Base-Backbone interact. energy: -0.022
local terms energy: -51.008245
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -247.445551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.445551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.445551 (E_RNA)
where:
Base-Base interactions energy: -167.040
where: short stacking energy: -75.050
Base-Backbone interact. energy: -0.009
local terms energy: -80.396763
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -242.951535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.951535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.951535 (E_RNA)
where:
Base-Base interactions energy: -168.204
where: short stacking energy: -77.188
Base-Backbone interact. energy: -0.306
local terms energy: -74.441580
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -237.544053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.544053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.544053 (E_RNA)
where:
Base-Base interactions energy: -168.884
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.238
local terms energy: -68.421998
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -241.013539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.013539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.013539 (E_RNA)
where:
Base-Base interactions energy: -165.803
where: short stacking energy: -76.404
Base-Backbone interact. energy: -2.019
local terms energy: -73.192124
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -230.202550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.202550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.202550 (E_RNA)
where:
Base-Base interactions energy: -159.307
where: short stacking energy: -71.080
Base-Backbone interact. energy: -1.070
local terms energy: -69.825315
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -220.788801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.788801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.788801 (E_RNA)
where:
Base-Base interactions energy: -151.737
where: short stacking energy: -59.649
Base-Backbone interact. energy: 0.237
local terms energy: -69.289155
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -10.678
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: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -219.979416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.979416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.979416 (E_RNA)
where:
Base-Base interactions energy: -154.656
where: short stacking energy: -62.324
Base-Backbone interact. energy: -0.745
local terms energy: -64.578119
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -229.812111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.812111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.812111 (E_RNA)
where:
Base-Base interactions energy: -161.115
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.000
local terms energy: -68.696883
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -9.658
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: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -207.991890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.991890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.991890 (E_RNA)
where:
Base-Base interactions energy: -149.890
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.614
local terms energy: -57.487819
where:
bonds (distance) C4'-P energy: -9.149
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -2.006
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -81.382641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.382641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.382641 (E_RNA)
where:
Base-Base interactions energy: -30.041
where: short stacking energy: -30.041
Base-Backbone interact. energy: -0.272
local terms energy: -51.069834
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -4.496
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: 449
Temperature: 0.900000
Total energy: -240.855857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.855857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.855857 (E_RNA)
where:
Base-Base interactions energy: -173.660
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.347
local terms energy: -66.848278
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -17.162
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: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -242.021347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.021347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.021347 (E_RNA)
where:
Base-Base interactions energy: -164.688
where: short stacking energy: -72.224
Base-Backbone interact. energy: -0.003
local terms energy: -77.329994
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -238.016039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.016039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.016039 (E_RNA)
where:
Base-Base interactions energy: -169.081
where: short stacking energy: -78.482
Base-Backbone interact. energy: -1.800
local terms energy: -67.134970
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -228.025897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.025897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.025897 (E_RNA)
where:
Base-Base interactions energy: -161.803
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.044
local terms energy: -66.178117
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -234.461925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.461925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.461925 (E_RNA)
where:
Base-Base interactions energy: -164.739
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.081
local terms energy: -69.642318
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -8.418
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: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -228.087926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.087926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.087926 (E_RNA)
where:
Base-Base interactions energy: -159.016
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.160
local terms energy: -68.911757
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -9.047
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -222.962494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.962494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.962494 (E_RNA)
where:
Base-Base interactions energy: -160.476
where: short stacking energy: -62.397
Base-Backbone interact. energy: -1.696
local terms energy: -60.790279
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -221.276307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.276307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.276307 (E_RNA)
where:
Base-Base interactions energy: -152.953
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.009
local terms energy: -68.314397
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -211.251546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.251546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.251546 (E_RNA)
where:
Base-Base interactions energy: -146.470
where: short stacking energy: -62.958
Base-Backbone interact. energy: -0.003
local terms energy: -64.778184
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -15.663
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: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -80.850793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.850793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.850793 (E_RNA)
where:
Base-Base interactions energy: -36.800
where: short stacking energy: -22.250
Base-Backbone interact. energy: -0.474
local terms energy: -43.576994
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -8.517
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -244.701260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.701260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.701260 (E_RNA)
where:
Base-Base interactions energy: -173.849
where: short stacking energy: -79.583
Base-Backbone interact. energy: -0.012
local terms energy: -70.839555
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -238.785592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.785592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.785592 (E_RNA)
where:
Base-Base interactions energy: -168.294
where: short stacking energy: -82.203
Base-Backbone interact. energy: 1.028
local terms energy: -71.519611
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -238.147403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.147403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.147403 (E_RNA)
where:
Base-Base interactions energy: -163.807
where: short stacking energy: -76.403
Base-Backbone interact. energy: -0.096
local terms energy: -74.244643
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -240.543558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.543558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.543558 (E_RNA)
where:
Base-Base interactions energy: -166.097
where: short stacking energy: -72.052
Base-Backbone interact. energy: -0.596
local terms energy: -73.851207
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -16.873
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: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -224.870211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.870211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.870211 (E_RNA)
where:
Base-Base interactions energy: -154.680
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.180
local terms energy: -70.010202
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -11.539
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: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -228.936232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.936232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.936232 (E_RNA)
where:
Base-Base interactions energy: -158.745
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.263
local terms energy: -69.927364
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -218.966578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.966578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.966578 (E_RNA)
where:
Base-Base interactions energy: -164.452
where: short stacking energy: -66.298
Base-Backbone interact. energy: -0.061
local terms energy: -54.453884
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -5.997
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: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -219.223607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.223607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.223607 (E_RNA)
where:
Base-Base interactions energy: -151.081
where: short stacking energy: -71.100
Base-Backbone interact. energy: -0.191
local terms energy: -67.951251
where:
bonds (distance) C4'-P energy: -7.459
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -215.911565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.911565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.911565 (E_RNA)
where:
Base-Base interactions energy: -145.905
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.059
local terms energy: -69.947268
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -81.583554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.583554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.583554 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -17.513
Base-Backbone interact. energy: 0.498
local terms energy: -47.808538
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -3.714
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: 451
Temperature: 0.900000
Total energy: -244.588157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.588157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.588157 (E_RNA)
where:
Base-Base interactions energy: -164.265
where: short stacking energy: -74.139
Base-Backbone interact. energy: -0.580
local terms energy: -79.743146
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -242.222934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.222934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.222934 (E_RNA)
where:
Base-Base interactions energy: -172.097
where: short stacking energy: -76.913
Base-Backbone interact. energy: -0.003
local terms energy: -70.123547
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -19.756
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: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -239.664400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.664400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.664400 (E_RNA)
where:
Base-Base interactions energy: -167.505
where: short stacking energy: -80.739
Base-Backbone interact. energy: -0.620
local terms energy: -71.539689
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -226.077928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.077928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.077928 (E_RNA)
where:
Base-Base interactions energy: -159.376
where: short stacking energy: -60.656
Base-Backbone interact. energy: -0.495
local terms energy: -66.207546
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -227.301449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.301449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.301449 (E_RNA)
where:
Base-Base interactions energy: -153.316
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.973
local terms energy: -73.012287
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -19.128
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: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -231.873152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.873152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.873152 (E_RNA)
where:
Base-Base interactions energy: -158.731
where: short stacking energy: -69.528
Base-Backbone interact. energy: -0.296
local terms energy: -72.846039
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -18.362
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: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -220.224780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.224780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.224780 (E_RNA)
where:
Base-Base interactions energy: -153.602
where: short stacking energy: -70.568
Base-Backbone interact. energy: -0.412
local terms energy: -66.210810
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -17.881
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: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -207.614188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.614188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.614188 (E_RNA)
where:
Base-Base interactions energy: -142.931
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.080
local terms energy: -64.602563
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -215.135904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.135904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.135904 (E_RNA)
where:
Base-Base interactions energy: -143.699
where: short stacking energy: -58.651
Base-Backbone interact. energy: -0.646
local terms energy: -70.790211
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -19.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -80.816998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.816998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.816998 (E_RNA)
where:
Base-Base interactions energy: -36.194
where: short stacking energy: -36.194
Base-Backbone interact. energy: -0.013
local terms energy: -44.610423
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -2.024
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: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -248.200734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.200734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.200734 (E_RNA)
where:
Base-Base interactions energy: -171.025
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.944
local terms energy: -76.232457
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -20.402
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: 452
Temperature: 0.950000
Total energy: -242.274189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.274189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.274189 (E_RNA)
where:
Base-Base interactions energy: -170.719
where: short stacking energy: -80.199
Base-Backbone interact. energy: -0.003
local terms energy: -71.552171
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -9.469
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -239.920793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.920793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.920793 (E_RNA)
where:
Base-Base interactions energy: -164.826
where: short stacking energy: -78.428
Base-Backbone interact. energy: -0.003
local terms energy: -75.091767
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -232.107338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.107338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.107338 (E_RNA)
where:
Base-Base interactions energy: -168.425
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.153
local terms energy: -63.529206
where:
bonds (distance) C4'-P energy: -7.161
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -17.103
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: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -236.984697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.984697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.984697 (E_RNA)
where:
Base-Base interactions energy: -164.679
where: short stacking energy: -67.838
Base-Backbone interact. energy: -0.086
local terms energy: -72.219491
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -223.668240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.668240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.668240 (E_RNA)
where:
Base-Base interactions energy: -157.243
where: short stacking energy: -67.443
Base-Backbone interact. energy: -0.260
local terms energy: -66.165085
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -220.058046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.058046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.058046 (E_RNA)
where:
Base-Base interactions energy: -150.265
where: short stacking energy: -62.588
Base-Backbone interact. energy: -0.438
local terms energy: -69.354831
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -9.508
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: 8, replica: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -220.416943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.416943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.416943 (E_RNA)
where:
Base-Base interactions energy: -153.475
where: short stacking energy: -73.191
Base-Backbone interact. energy: -0.550
local terms energy: -66.392562
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -209.156065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.156065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.156065 (E_RNA)
where:
Base-Base interactions energy: -149.175
where: short stacking energy: -66.112
Base-Backbone interact. energy: 0.999
local terms energy: -60.979864
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -8.773
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: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -79.073515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.073515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.073515 (E_RNA)
where:
Base-Base interactions energy: -34.533
where: short stacking energy: -24.651
Base-Backbone interact. energy: -0.379
local terms energy: -44.161313
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -2.519
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -3.320
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: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -249.262400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.262400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.262400 (E_RNA)
where:
Base-Base interactions energy: -172.672
where: short stacking energy: -74.744
Base-Backbone interact. energy: -0.001
local terms energy: -76.589171
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -239.562019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.562019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.562019 (E_RNA)
where:
Base-Base interactions energy: -165.511
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.348
local terms energy: -73.703477
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -236.822312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.822312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.822312 (E_RNA)
where:
Base-Base interactions energy: -163.637
where: short stacking energy: -80.557
Base-Backbone interact. energy: 0.057
local terms energy: -73.242297
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -20.498
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: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -238.671624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.671624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.671624 (E_RNA)
where:
Base-Base interactions energy: -162.580
where: short stacking energy: -72.634
Base-Backbone interact. energy: -1.601
local terms energy: -74.490585
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -20.050
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: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -228.232241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.232241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.232241 (E_RNA)
where:
Base-Base interactions energy: -163.282
where: short stacking energy: -65.342
Base-Backbone interact. energy: -0.095
local terms energy: -64.856173
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -220.666135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.666135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.666135 (E_RNA)
where:
Base-Base interactions energy: -152.179
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.262
local terms energy: -68.225730
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -20.479
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: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -196.351726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.351726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.351726 (E_RNA)
where:
Base-Base interactions energy: -138.813
where: short stacking energy: -58.929
Base-Backbone interact. energy: -0.970
local terms energy: -56.568941
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -6.610
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: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -227.257849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.257849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.257849 (E_RNA)
where:
Base-Base interactions energy: -159.306
where: short stacking energy: -67.048
Base-Backbone interact. energy: -0.003
local terms energy: -67.948987
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -214.124898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.124898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.124898 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -64.274
Base-Backbone interact. energy: -0.025
local terms energy: -60.633501
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -8.992
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: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -85.095085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.095085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.095085 (E_RNA)
where:
Base-Base interactions energy: -39.870
where: short stacking energy: -39.870
Base-Backbone interact. energy: -0.136
local terms energy: -45.089328
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -10.006
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -241.741449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.741449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.741449 (E_RNA)
where:
Base-Base interactions energy: -166.810
where: short stacking energy: -71.864
Base-Backbone interact. energy: -0.076
local terms energy: -74.855605
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -17.264
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: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -244.501766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.501766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.501766 (E_RNA)
where:
Base-Base interactions energy: -168.252
where: short stacking energy: -79.275
Base-Backbone interact. energy: -0.598
local terms energy: -75.652570
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -241.171313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.171313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.171313 (E_RNA)
where:
Base-Base interactions energy: -161.844
where: short stacking energy: -76.687
Base-Backbone interact. energy: -1.188
local terms energy: -78.139594
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -233.223780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.223780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.223780 (E_RNA)
where:
Base-Base interactions energy: -163.422
where: short stacking energy: -76.405
Base-Backbone interact. energy: -0.003
local terms energy: -69.798460
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -9.661
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: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -231.242650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.242650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.242650 (E_RNA)
where:
Base-Base interactions energy: -164.789
where: short stacking energy: -64.120
Base-Backbone interact. energy: -0.395
local terms energy: -66.058150
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -19.109
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: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -224.829949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.829949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.829949 (E_RNA)
where:
Base-Base interactions energy: -156.045
where: short stacking energy: -72.207
Base-Backbone interact. energy: -0.000
local terms energy: -68.784683
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -20.759
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: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -219.728533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.728533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.728533 (E_RNA)
where:
Base-Base interactions energy: -157.349
where: short stacking energy: -72.674
Base-Backbone interact. energy: -0.000
local terms energy: -62.379125
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -16.149
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: 454
Temperature: 1.250000
Total energy: -211.603169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.603169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.603169 (E_RNA)
where:
Base-Base interactions energy: -145.959
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.615
local terms energy: -65.029686
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -205.251282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.251282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.251282 (E_RNA)
where:
Base-Base interactions energy: -148.359
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.656
local terms energy: -56.236028
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -5.740
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.169
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: 10, replica: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -75.509729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.509729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.509729 (E_RNA)
where:
Base-Base interactions energy: -28.635
where: short stacking energy: -28.635
Base-Backbone interact. energy: -0.165
local terms energy: -46.710026
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -3.163
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: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -245.001006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.001006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.001006 (E_RNA)
where:
Base-Base interactions energy: -168.872
where: short stacking energy: -70.023
Base-Backbone interact. energy: -1.399
local terms energy: -74.730756
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -239.689264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.689264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.689264 (E_RNA)
where:
Base-Base interactions energy: -162.102
where: short stacking energy: -76.435
Base-Backbone interact. energy: -2.041
local terms energy: -75.547094
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -234.312592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.312592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.312592 (E_RNA)
where:
Base-Base interactions energy: -166.388
where: short stacking energy: -67.596
Base-Backbone interact. energy: -0.017
local terms energy: -67.907992
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -14.609
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: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -233.853138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.853138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.853138 (E_RNA)
where:
Base-Base interactions energy: -163.152
where: short stacking energy: -69.875
Base-Backbone interact. energy: -0.009
local terms energy: -70.691952
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -12.863
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: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -227.375028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.375028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.375028 (E_RNA)
where:
Base-Base interactions energy: -151.120
where: short stacking energy: -64.029
Base-Backbone interact. energy: -0.103
local terms energy: -76.151702
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -15.325
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: 455
Temperature: 1.150000
Total energy: -228.779462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.779462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.779462 (E_RNA)
where:
Base-Base interactions energy: -157.835
where: short stacking energy: -68.663
Base-Backbone interact. energy: 1.098
local terms energy: -72.042072
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -217.778751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.778751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.778751 (E_RNA)
where:
Base-Base interactions energy: -148.393
where: short stacking energy: -61.506
Base-Backbone interact. energy: -0.055
local terms energy: -69.330544
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -8.219
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: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -219.309101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.309101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.309101 (E_RNA)
where:
Base-Base interactions energy: -152.099
where: short stacking energy: -67.103
Base-Backbone interact. energy: -0.004
local terms energy: -67.205939
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -22.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -214.870583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.870583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.870583 (E_RNA)
where:
Base-Base interactions energy: -143.585
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.079
local terms energy: -71.206696
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -74.552223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.552223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.552223 (E_RNA)
where:
Base-Base interactions energy: -36.280
where: short stacking energy: -27.343
Base-Backbone interact. energy: -0.652
local terms energy: -37.619763
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -2.494
tors. eta vs tors. theta energy: 2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -250.854003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.854003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.854003 (E_RNA)
where:
Base-Base interactions energy: -171.619
where: short stacking energy: -74.142
Base-Backbone interact. energy: -1.371
local terms energy: -77.863672
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -19.059
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: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -244.748753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.748753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.748753 (E_RNA)
where:
Base-Base interactions energy: -164.527
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.788
local terms energy: -79.433569
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -241.930082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.930082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.930082 (E_RNA)
where:
Base-Base interactions energy: -172.215
where: short stacking energy: -76.188
Base-Backbone interact. energy: -0.021
local terms energy: -69.694717
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -10.559
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: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -234.878810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.878810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.878810 (E_RNA)
where:
Base-Base interactions energy: -167.477
where: short stacking energy: -67.309
Base-Backbone interact. energy: -1.063
local terms energy: -66.339109
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -14.504
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: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -238.328747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.328747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.328747 (E_RNA)
where:
Base-Base interactions energy: -167.589
where: short stacking energy: -70.208
Base-Backbone interact. energy: -0.574
local terms energy: -70.165528
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -217.339633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.339633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.339633 (E_RNA)
where:
Base-Base interactions energy: -148.164
where: short stacking energy: -62.030
Base-Backbone interact. energy: -0.382
local terms energy: -68.793615
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -10.495
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: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -217.979965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.979965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.979965 (E_RNA)
where:
Base-Base interactions energy: -155.223
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.229
local terms energy: -62.527215
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -18.774
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: 456
Temperature: 1.250000
Total energy: -213.630153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.630153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.630153 (E_RNA)
where:
Base-Base interactions energy: -149.538
where: short stacking energy: -66.132
Base-Backbone interact. energy: -0.000
local terms energy: -64.092343
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -16.713
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: 456
Temperature: 1.300000
Total energy: -205.161005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.161005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.161005 (E_RNA)
where:
Base-Base interactions energy: -145.438
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.188
local terms energy: -59.535231
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.972
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: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -74.260126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.260126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.260126 (E_RNA)
where:
Base-Base interactions energy: -26.847
where: short stacking energy: -25.303
Base-Backbone interact. energy: -1.091
local terms energy: -46.321828
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -1.698
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: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -242.203226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.203226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.203226 (E_RNA)
where:
Base-Base interactions energy: -165.452
where: short stacking energy: -76.681
Base-Backbone interact. energy: -0.792
local terms energy: -75.959347
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -238.092446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.092446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.092446 (E_RNA)
where:
Base-Base interactions energy: -160.510
where: short stacking energy: -70.154
Base-Backbone interact. energy: -0.156
local terms energy: -77.426789
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -14.601
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: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -238.675635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.675635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.675635 (E_RNA)
where:
Base-Base interactions energy: -163.715
where: short stacking energy: -67.382
Base-Backbone interact. energy: -0.743
local terms energy: -74.217320
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -20.278
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: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -238.262868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.262868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.262868 (E_RNA)
where:
Base-Base interactions energy: -165.526
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.415
local terms energy: -72.322062
where:
bonds (distance) C4'-P energy: -7.310
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -233.628094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.628094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.628094 (E_RNA)
where:
Base-Base interactions energy: -160.749
where: short stacking energy: -69.912
Base-Backbone interact. energy: -0.001
local terms energy: -72.878066
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -18.796
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: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -226.884293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.884293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.884293 (E_RNA)
where:
Base-Base interactions energy: -157.933
where: short stacking energy: -65.958
Base-Backbone interact. energy: -0.924
local terms energy: -68.027452
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -18.268
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: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -212.569363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.569363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.569363 (E_RNA)
where:
Base-Base interactions energy: -157.138
where: short stacking energy: -61.372
Base-Backbone interact. energy: -0.542
local terms energy: -54.889314
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -7.194
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -216.119698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.119698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.119698 (E_RNA)
where:
Base-Base interactions energy: -151.571
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.280
local terms energy: -64.269138
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -6.344
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -219.456862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.456862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.456862 (E_RNA)
where:
Base-Base interactions energy: -156.574
where: short stacking energy: -66.015
Base-Backbone interact. energy: -0.120
local terms energy: -62.762989
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -78.079378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.079378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.079378 (E_RNA)
where:
Base-Base interactions energy: -22.041
where: short stacking energy: -22.041
Base-Backbone interact. energy: -0.037
local terms energy: -56.001270
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -8.661
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: 458
Temperature: 0.900000
Total energy: -253.257708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.257708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.257708 (E_RNA)
where:
Base-Base interactions energy: -181.675
where: short stacking energy: -79.969
Base-Backbone interact. energy: -0.124
local terms energy: -71.458888
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -244.284796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.284796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.284796 (E_RNA)
where:
Base-Base interactions energy: -165.955
where: short stacking energy: -77.721
Base-Backbone interact. energy: -0.472
local terms energy: -77.858115
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -239.938731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.938731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.938731 (E_RNA)
where:
Base-Base interactions energy: -160.551
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.910
local terms energy: -78.477511
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -229.868222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.868222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.868222 (E_RNA)
where:
Base-Base interactions energy: -161.883
where: short stacking energy: -73.650
Base-Backbone interact. energy: -0.128
local terms energy: -67.857060
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -230.812936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.812936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.812936 (E_RNA)
where:
Base-Base interactions energy: -159.176
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.424
local terms energy: -71.212504
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -229.811166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.811166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.811166 (E_RNA)
where:
Base-Base interactions energy: -157.882
where: short stacking energy: -76.137
Base-Backbone interact. energy: -0.030
local terms energy: -71.898297
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -219.224551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.224551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.224551 (E_RNA)
where:
Base-Base interactions energy: -156.523
where: short stacking energy: -75.158
Base-Backbone interact. energy: -0.008
local terms energy: -62.693957
where:
bonds (distance) C4'-P energy: -7.778
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -16.177
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: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -217.683962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.683962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.683962 (E_RNA)
where:
Base-Base interactions energy: -156.876
where: short stacking energy: -66.441
Base-Backbone interact. energy: -0.041
local terms energy: -60.766851
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -9.105
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -13.640
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: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -212.465728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465728 (E_RNA)
where:
Base-Base interactions energy: -149.318
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.465
local terms energy: -62.682042
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -18.013
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: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -74.964025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.964025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.964025 (E_RNA)
where:
Base-Base interactions energy: -31.486
where: short stacking energy: -28.906
Base-Backbone interact. energy: 1.058
local terms energy: -44.536210
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -4.118
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: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -248.767321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.767321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.767321 (E_RNA)
where:
Base-Base interactions energy: -172.428
where: short stacking energy: -81.393
Base-Backbone interact. energy: -0.008
local terms energy: -76.331088
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -241.833067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.833067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.833067 (E_RNA)
where:
Base-Base interactions energy: -169.686
where: short stacking energy: -71.286
Base-Backbone interact. energy: -0.577
local terms energy: -71.569677
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -235.120199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.120199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.120199 (E_RNA)
where:
Base-Base interactions energy: -166.921
where: short stacking energy: -79.866
Base-Backbone interact. energy: -0.023
local terms energy: -68.176331
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -231.480848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.480848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.480848 (E_RNA)
where:
Base-Base interactions energy: -159.154
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.041
local terms energy: -72.285802
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -227.740300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.740300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.740300 (E_RNA)
where:
Base-Base interactions energy: -161.513
where: short stacking energy: -67.819
Base-Backbone interact. energy: -0.049
local terms energy: -66.177624
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -5.825
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -227.369194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.369194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.369194 (E_RNA)
where:
Base-Base interactions energy: -161.869
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.893
local terms energy: -64.606605
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -221.362516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.362516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.362516 (E_RNA)
where:
Base-Base interactions energy: -150.879
where: short stacking energy: -73.459
Base-Backbone interact. energy: -0.579
local terms energy: -69.904979
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -223.325286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.325286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.325286 (E_RNA)
where:
Base-Base interactions energy: -155.941
where: short stacking energy: -65.665
Base-Backbone interact. energy: -0.011
local terms energy: -67.373292
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -19.001
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: 459
Temperature: 1.300000
Total energy: -221.684160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.684160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.684160 (E_RNA)
where:
Base-Base interactions energy: -155.554
where: short stacking energy: -63.361
Base-Backbone interact. energy: -0.621
local terms energy: -65.509331
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -82.137179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.137179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.137179 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -33.091
Base-Backbone interact. energy: -0.031
local terms energy: -47.162216
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -5.468
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: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -243.069567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.069567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.069567 (E_RNA)
where:
Base-Base interactions energy: -164.078
where: short stacking energy: -74.086
Base-Backbone interact. energy: -1.727
local terms energy: -77.264908
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -239.061773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.061773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.061773 (E_RNA)
where:
Base-Base interactions energy: -165.078
where: short stacking energy: -75.045
Base-Backbone interact. energy: -0.003
local terms energy: -73.981197
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -237.795022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.795022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.795022 (E_RNA)
where:
Base-Base interactions energy: -161.692
where: short stacking energy: -72.827
Base-Backbone interact. energy: -0.016
local terms energy: -76.086829
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -22.515
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: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -232.882570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.882570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.882570 (E_RNA)
where:
Base-Base interactions energy: -168.386
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.100
local terms energy: -64.396850
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -233.143156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.143156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.143156 (E_RNA)
where:
Base-Base interactions energy: -162.958
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.218
local terms energy: -69.967276
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -18.557
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: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -233.701378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.701378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.701378 (E_RNA)
where:
Base-Base interactions energy: -168.237
where: short stacking energy: -68.007
Base-Backbone interact. energy: -0.101
local terms energy: -65.363465
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -16.238
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: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -222.761824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.761824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.761824 (E_RNA)
where:
Base-Base interactions energy: -151.745
where: short stacking energy: -66.719
Base-Backbone interact. energy: -0.008
local terms energy: -71.009076
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -17.928
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: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -219.068296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.068296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.068296 (E_RNA)
where:
Base-Base interactions energy: -148.910
where: short stacking energy: -65.765
Base-Backbone interact. energy: -0.001
local terms energy: -70.157482
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -216.057758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.057758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.057758 (E_RNA)
where:
Base-Base interactions energy: -148.540
where: short stacking energy: -65.647
Base-Backbone interact. energy: -0.747
local terms energy: -66.771605
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -4.569
tors. eta vs tors. theta energy: -18.653
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: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -79.771458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.771458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.771458 (E_RNA)
where:
Base-Base interactions energy: -27.233
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.040
local terms energy: -52.498594
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -4.051
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: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -242.140926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.140926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.140926 (E_RNA)
where:
Base-Base interactions energy: -168.881
where: short stacking energy: -73.696
Base-Backbone interact. energy: -0.008
local terms energy: -73.252641
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -233.733894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.733894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.733894 (E_RNA)
where:
Base-Base interactions energy: -161.689
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.030
local terms energy: -72.014983
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -18.684
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: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -241.255288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.255288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.255288 (E_RNA)
where:
Base-Base interactions energy: -166.192
where: short stacking energy: -78.736
Base-Backbone interact. energy: -0.020
local terms energy: -75.043099
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -230.714841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.714841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.714841 (E_RNA)
where:
Base-Base interactions energy: -156.001
where: short stacking energy: -68.732
Base-Backbone interact. energy: -0.017
local terms energy: -74.696509
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -227.953650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.953650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.953650 (E_RNA)
where:
Base-Base interactions energy: -161.359
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.002
local terms energy: -66.592860
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -235.958143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.958143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.958143 (E_RNA)
where:
Base-Base interactions energy: -161.610
where: short stacking energy: -74.659
Base-Backbone interact. energy: -1.792
local terms energy: -72.556333
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -215.857610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.857610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.857610 (E_RNA)
where:
Base-Base interactions energy: -160.890
where: short stacking energy: -67.189
Base-Backbone interact. energy: -0.079
local terms energy: -54.887964
where:
bonds (distance) C4'-P energy: -6.714
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -13.110
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: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -211.510954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.510954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.510954 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -71.606
Base-Backbone interact. energy: -0.018
local terms energy: -58.755589
where:
bonds (distance) C4'-P energy: -6.361
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -18.815
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: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -217.285301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.285301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.285301 (E_RNA)
where:
Base-Base interactions energy: -149.874
where: short stacking energy: -65.765
Base-Backbone interact. energy: -0.081
local terms energy: -67.330336
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -70.571282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.571282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.571282 (E_RNA)
where:
Base-Base interactions energy: -23.649
where: short stacking energy: -24.145
Base-Backbone interact. energy: -0.080
local terms energy: -46.841980
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: -2.350
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: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -240.895959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.895959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.895959 (E_RNA)
where:
Base-Base interactions energy: -164.921
where: short stacking energy: -71.943
Base-Backbone interact. energy: -0.302
local terms energy: -75.673280
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -235.764444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.764444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.764444 (E_RNA)
where:
Base-Base interactions energy: -169.429
where: short stacking energy: -73.571
Base-Backbone interact. energy: -0.000
local terms energy: -66.334919
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -242.489485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.489485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.489485 (E_RNA)
where:
Base-Base interactions energy: -171.436
where: short stacking energy: -75.623
Base-Backbone interact. energy: -0.001
local terms energy: -71.052596
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -18.130
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: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -238.091427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.091427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.091427 (E_RNA)
where:
Base-Base interactions energy: -164.250
where: short stacking energy: -76.325
Base-Backbone interact. energy: -0.062
local terms energy: -73.779576
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -21.274
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: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -233.412518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.412518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.412518 (E_RNA)
where:
Base-Base interactions energy: -165.972
where: short stacking energy: -70.983
Base-Backbone interact. energy: 0.090
local terms energy: -67.530234
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -216.244957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.244957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.244957 (E_RNA)
where:
Base-Base interactions energy: -153.543
where: short stacking energy: -61.676
Base-Backbone interact. energy: -0.473
local terms energy: -62.229331
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -10.012
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: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -229.256466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.256466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.256466 (E_RNA)
where:
Base-Base interactions energy: -158.827
where: short stacking energy: -71.136
Base-Backbone interact. energy: -1.641
local terms energy: -68.788573
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -219.103873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.103873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.103873 (E_RNA)
where:
Base-Base interactions energy: -154.190
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.519
local terms energy: -64.395237
where:
bonds (distance) C4'-P energy: -9.529
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -204.675084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.675084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.675084 (E_RNA)
where:
Base-Base interactions energy: -145.901
where: short stacking energy: -67.712
Base-Backbone interact. energy: -0.001
local terms energy: -58.773215
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -73.983453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.983453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.983453 (E_RNA)
where:
Base-Base interactions energy: -41.324
where: short stacking energy: -23.418
Base-Backbone interact. energy: -0.129
local terms energy: -32.530300
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -7.134
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: 3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -243.666846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.666846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.666846 (E_RNA)
where:
Base-Base interactions energy: -164.394
where: short stacking energy: -74.324
Base-Backbone interact. energy: -0.288
local terms energy: -78.984793
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -20.985
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: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -240.463430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.463430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.463430 (E_RNA)
where:
Base-Base interactions energy: -170.257
where: short stacking energy: -70.216
Base-Backbone interact. energy: -0.003
local terms energy: -70.202922
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -241.529070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.529070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.529070 (E_RNA)
where:
Base-Base interactions energy: -168.403
where: short stacking energy: -75.748
Base-Backbone interact. energy: -0.033
local terms energy: -73.093111
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -238.611095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.611095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.611095 (E_RNA)
where:
Base-Base interactions energy: -161.661
where: short stacking energy: -76.243
Base-Backbone interact. energy: -0.434
local terms energy: -76.515863
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -220.965671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.965671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.965671 (E_RNA)
where:
Base-Base interactions energy: -162.721
where: short stacking energy: -67.549
Base-Backbone interact. energy: -0.570
local terms energy: -57.674343
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -3.940
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -222.951266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.951266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.951266 (E_RNA)
where:
Base-Base interactions energy: -154.242
where: short stacking energy: -65.496
Base-Backbone interact. energy: -0.071
local terms energy: -68.637839
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -8.456
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: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -223.612737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.612737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.612737 (E_RNA)
where:
Base-Base interactions energy: -156.765
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.111
local terms energy: -66.736398
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -20.437
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: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -218.175121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.175121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.175121 (E_RNA)
where:
Base-Base interactions energy: -156.289
where: short stacking energy: -75.863
Base-Backbone interact. energy: -0.126
local terms energy: -61.760159
where:
bonds (distance) C4'-P energy: -6.396
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -12.141
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: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -209.790917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.790917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.790917 (E_RNA)
where:
Base-Base interactions energy: -138.275
where: short stacking energy: -61.181
Base-Backbone interact. energy: -0.276
local terms energy: -71.239513
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -12.463
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: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -73.798065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.798065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.798065 (E_RNA)
where:
Base-Base interactions energy: -28.053
where: short stacking energy: -28.053
Base-Backbone interact. energy: -0.284
local terms energy: -45.461449
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -240.467449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.467449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.467449 (E_RNA)
where:
Base-Base interactions energy: -164.322
where: short stacking energy: -76.137
Base-Backbone interact. energy: -0.011
local terms energy: -76.135279
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -20.850
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: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -235.424575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.424575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.424575 (E_RNA)
where:
Base-Base interactions energy: -163.236
where: short stacking energy: -75.285
Base-Backbone interact. energy: -0.007
local terms energy: -72.181244
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -18.361
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: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -236.170684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.170684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.170684 (E_RNA)
where:
Base-Base interactions energy: -162.047
where: short stacking energy: -71.212
Base-Backbone interact. energy: -0.127
local terms energy: -73.996735
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -18.951
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: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -238.206286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.206286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.206286 (E_RNA)
where:
Base-Base interactions energy: -172.604
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.532
local terms energy: -65.071011
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -221.582471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.582471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.582471 (E_RNA)
where:
Base-Base interactions energy: -152.878
where: short stacking energy: -71.508
Base-Backbone interact. energy: 0.512
local terms energy: -69.216458
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -229.814286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.814286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.814286 (E_RNA)
where:
Base-Base interactions energy: -158.086
where: short stacking energy: -65.266
Base-Backbone interact. energy: -0.036
local terms energy: -71.691784
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -14.890
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: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -232.525396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.525396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.525396 (E_RNA)
where:
Base-Base interactions energy: -164.242
where: short stacking energy: -71.269
Base-Backbone interact. energy: -0.463
local terms energy: -67.820200
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -229.884547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.884547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.884547 (E_RNA)
where:
Base-Base interactions energy: -156.973
where: short stacking energy: -71.204
Base-Backbone interact. energy: -1.122
local terms energy: -71.789975
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -219.161592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.161592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.161592 (E_RNA)
where:
Base-Base interactions energy: -149.421
where: short stacking energy: -58.072
Base-Backbone interact. energy: -0.927
local terms energy: -68.812993
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -14.996
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: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -85.833560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.833560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.833560 (E_RNA)
where:
Base-Base interactions energy: -35.893
where: short stacking energy: -35.893
Base-Backbone interact. energy: -0.074
local terms energy: -49.867182
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -0.868
tors. eta vs tors. theta energy: -8.048
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: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -235.840160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.840160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.840160 (E_RNA)
where:
Base-Base interactions energy: -163.646
where: short stacking energy: -73.371
Base-Backbone interact. energy: -0.073
local terms energy: -72.121600
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -232.687188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.687188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.687188 (E_RNA)
where:
Base-Base interactions energy: -167.996
where: short stacking energy: -65.108
Base-Backbone interact. energy: -0.181
local terms energy: -64.510199
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -239.766292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.766292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.766292 (E_RNA)
where:
Base-Base interactions energy: -166.572
where: short stacking energy: -76.980
Base-Backbone interact. energy: -0.034
local terms energy: -73.159931
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -19.833
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: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -233.719739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.719739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.719739 (E_RNA)
where:
Base-Base interactions energy: -160.960
where: short stacking energy: -64.482
Base-Backbone interact. energy: -0.679
local terms energy: -72.080732
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -12.277
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: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -218.567620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.567620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.567620 (E_RNA)
where:
Base-Base interactions energy: -146.533
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.315
local terms energy: -71.719625
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -15.972
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: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -225.550222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.550222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.550222 (E_RNA)
where:
Base-Base interactions energy: -157.849
where: short stacking energy: -75.815
Base-Backbone interact. energy: -0.055
local terms energy: -67.646006
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -216.056149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.056149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.056149 (E_RNA)
where:
Base-Base interactions energy: -154.154
where: short stacking energy: -62.103
Base-Backbone interact. energy: 0.672
local terms energy: -62.574994
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -8.565
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: 8, replica: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -216.983362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.983362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.983362 (E_RNA)
where:
Base-Base interactions energy: -161.258
where: short stacking energy: -72.317
Base-Backbone interact. energy: -0.024
local terms energy: -55.701763
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -220.166747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.166747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.166747 (E_RNA)
where:
Base-Base interactions energy: -154.684
where: short stacking energy: -70.604
Base-Backbone interact. energy: -0.121
local terms energy: -65.360934
where:
bonds (distance) C4'-P energy: -8.590
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -17.463
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: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -76.674968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.674968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.674968 (E_RNA)
where:
Base-Base interactions energy: -35.339
where: short stacking energy: -35.339
Base-Backbone interact. energy: 2.052
local terms energy: -43.388762
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -2.197
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -249.783507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.783507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.783507 (E_RNA)
where:
Base-Base interactions energy: -174.620
where: short stacking energy: -73.560
Base-Backbone interact. energy: -0.405
local terms energy: -74.758202
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -229.837261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.837261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.837261 (E_RNA)
where:
Base-Base interactions energy: -160.405
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.117
local terms energy: -69.315593
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -11.361
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: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -241.194669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.194669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.194669 (E_RNA)
where:
Base-Base interactions energy: -166.994
where: short stacking energy: -68.059
Base-Backbone interact. energy: -0.460
local terms energy: -73.740194
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -235.029013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.029013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.029013 (E_RNA)
where:
Base-Base interactions energy: -160.733
where: short stacking energy: -72.886
Base-Backbone interact. energy: -0.018
local terms energy: -74.278538
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -19.856
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: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -234.086801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.086801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.086801 (E_RNA)
where:
Base-Base interactions energy: -153.447
where: short stacking energy: -67.907
Base-Backbone interact. energy: -0.638
local terms energy: -80.001578
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -224.885174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.885174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.885174 (E_RNA)
where:
Base-Base interactions energy: -156.421
where: short stacking energy: -61.113
Base-Backbone interact. energy: -0.423
local terms energy: -68.040888
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.201
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: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -223.302210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.302210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.302210 (E_RNA)
where:
Base-Base interactions energy: -158.949
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.003
local terms energy: -64.350600
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -8.442
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.829
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: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -216.834072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.834072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.834072 (E_RNA)
where:
Base-Base interactions energy: -151.973
where: short stacking energy: -62.808
Base-Backbone interact. energy: -0.008
local terms energy: -64.852165
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -17.783
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: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -213.197940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.197940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.197940 (E_RNA)
where:
Base-Base interactions energy: -150.388
where: short stacking energy: -62.275
Base-Backbone interact. energy: -0.103
local terms energy: -62.707276
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -91.040860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.040860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.040860 (E_RNA)
where:
Base-Base interactions energy: -50.375
where: short stacking energy: -24.291
Base-Backbone interact. energy: -0.671
local terms energy: -39.994977
where:
bonds (distance) C4'-P energy: -9.617
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: 0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -244.155629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.155629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.155629 (E_RNA)
where:
Base-Base interactions energy: -165.844
where: short stacking energy: -77.859
Base-Backbone interact. energy: -0.007
local terms energy: -78.305478
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -20.718
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: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -242.728757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.728757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.728757 (E_RNA)
where:
Base-Base interactions energy: -171.045
where: short stacking energy: -68.837
Base-Backbone interact. energy: -0.290
local terms energy: -71.393384
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -12.594
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: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -235.960391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.960391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.960391 (E_RNA)
where:
Base-Base interactions energy: -160.971
where: short stacking energy: -76.878
Base-Backbone interact. energy: -0.001
local terms energy: -74.989272
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -239.219819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.219819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.219819 (E_RNA)
where:
Base-Base interactions energy: -167.398
where: short stacking energy: -78.805
Base-Backbone interact. energy: -0.007
local terms energy: -71.814914
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -20.252
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: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -236.753705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.753705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.753705 (E_RNA)
where:
Base-Base interactions energy: -163.385
where: short stacking energy: -69.621
Base-Backbone interact. energy: -0.091
local terms energy: -73.278109
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -17.506
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: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -224.167739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.167739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.167739 (E_RNA)
where:
Base-Base interactions energy: -162.776
where: short stacking energy: -65.431
Base-Backbone interact. energy: -0.848
local terms energy: -60.543952
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -10.704
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: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -218.218924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.218924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.218924 (E_RNA)
where:
Base-Base interactions energy: -150.792
where: short stacking energy: -72.148
Base-Backbone interact. energy: -0.046
local terms energy: -67.381568
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -211.710166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.710166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.710166 (E_RNA)
where:
Base-Base interactions energy: -146.721
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.379
local terms energy: -64.610099
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -9.290
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: 9, replica: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -207.405528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.405528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.405528 (E_RNA)
where:
Base-Base interactions energy: -150.936
where: short stacking energy: -70.575
Base-Backbone interact. energy: -0.132
local terms energy: -56.337670
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -8.391
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: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -90.279818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.279818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.279818 (E_RNA)
where:
Base-Base interactions energy: -46.627
where: short stacking energy: -26.685
Base-Backbone interact. energy: -0.859
local terms energy: -42.793358
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -249.508598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.508598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.508598 (E_RNA)
where:
Base-Base interactions energy: -174.052
where: short stacking energy: -71.063
Base-Backbone interact. energy: -0.002
local terms energy: -75.454222
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -20.032
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: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -239.588772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.588772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.588772 (E_RNA)
where:
Base-Base interactions energy: -170.290
where: short stacking energy: -66.260
Base-Backbone interact. energy: -0.165
local terms energy: -69.133578
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.867
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: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -236.055242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.055242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.055242 (E_RNA)
where:
Base-Base interactions energy: -170.413
where: short stacking energy: -75.646
Base-Backbone interact. energy: -0.001
local terms energy: -65.640825
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -238.794224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.794224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.794224 (E_RNA)
where:
Base-Base interactions energy: -160.190
where: short stacking energy: -74.283
Base-Backbone interact. energy: -0.000
local terms energy: -78.603822
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -229.128357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.128357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.128357 (E_RNA)
where:
Base-Base interactions energy: -163.982
where: short stacking energy: -67.758
Base-Backbone interact. energy: 1.304
local terms energy: -66.450009
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -234.202859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.202859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.202859 (E_RNA)
where:
Base-Base interactions energy: -162.085
where: short stacking energy: -74.512
Base-Backbone interact. energy: -0.006
local terms energy: -72.112644
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -213.916104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.916104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.916104 (E_RNA)
where:
Base-Base interactions energy: -149.933
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.103
local terms energy: -63.879782
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -209.068880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.068880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.068880 (E_RNA)
where:
Base-Base interactions energy: -152.473
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.007
local terms energy: -56.588503
where:
bonds (distance) C4'-P energy: -7.282
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -9.327
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: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -80.751530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.751530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.751530 (E_RNA)
where:
Base-Base interactions energy: -40.691
where: short stacking energy: -18.718
Base-Backbone interact. energy: -0.097
local terms energy: -39.963981
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: -0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -209.252177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.252177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.252177 (E_RNA)
where:
Base-Base interactions energy: -146.450
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.001
local terms energy: -62.801921
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -9.814
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: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -243.458160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.458160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.458160 (E_RNA)
where:
Base-Base interactions energy: -169.690
where: short stacking energy: -77.613
Base-Backbone interact. energy: -0.001
local terms energy: -73.767157
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -20.753
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: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -239.351866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.351866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.351866 (E_RNA)
where:
Base-Base interactions energy: -165.000
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.022
local terms energy: -74.330369
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -237.261436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.261436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.261436 (E_RNA)
where:
Base-Base interactions energy: -162.727
where: short stacking energy: -75.704
Base-Backbone interact. energy: -0.006
local terms energy: -74.528353
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -229.639492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.639492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.639492 (E_RNA)
where:
Base-Base interactions energy: -160.258
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.100
local terms energy: -69.282049
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -7.441
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -16.888
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: 469
Temperature: 1.100000
Total energy: -238.907558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.907558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.907558 (E_RNA)
where:
Base-Base interactions energy: -164.884
where: short stacking energy: -67.664
Base-Backbone interact. energy: -0.016
local terms energy: -74.007200
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -214.717147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.717147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.717147 (E_RNA)
where:
Base-Base interactions energy: -153.553
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.086
local terms energy: -61.078321
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -225.492279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.492279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.492279 (E_RNA)
where:
Base-Base interactions energy: -154.353
where: short stacking energy: -68.077
Base-Backbone interact. energy: -0.122
local terms energy: -71.016988
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -220.877259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.877259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.877259 (E_RNA)
where:
Base-Base interactions energy: -160.557
where: short stacking energy: -69.417
Base-Backbone interact. energy: -0.098
local terms energy: -60.222311
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -7.272
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: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -101.236919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.236919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.236919 (E_RNA)
where:
Base-Base interactions energy: -53.513
where: short stacking energy: -37.463
Base-Backbone interact. energy: -0.372
local terms energy: -47.352238
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -201.165264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.165264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.165264 (E_RNA)
where:
Base-Base interactions energy: -141.918
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.191
local terms energy: -59.055449
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -10.632
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: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -252.764337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.764337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.764337 (E_RNA)
where:
Base-Base interactions energy: -171.997
where: short stacking energy: -78.186
Base-Backbone interact. energy: -0.041
local terms energy: -80.726747
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -234.248419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.248419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.248419 (E_RNA)
where:
Base-Base interactions energy: -164.205
where: short stacking energy: -71.909
Base-Backbone interact. energy: -0.001
local terms energy: -70.041880
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -18.370
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: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -238.981762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.981762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.981762 (E_RNA)
where:
Base-Base interactions energy: -167.428
where: short stacking energy: -76.338
Base-Backbone interact. energy: -0.894
local terms energy: -70.659522
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -21.262
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: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -237.599135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.599135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.599135 (E_RNA)
where:
Base-Base interactions energy: -164.504
where: short stacking energy: -75.088
Base-Backbone interact. energy: -0.351
local terms energy: -72.744154
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.446
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: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -227.827776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.827776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.827776 (E_RNA)
where:
Base-Base interactions energy: -155.658
where: short stacking energy: -68.489
Base-Backbone interact. energy: 0.062
local terms energy: -72.232008
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -227.374119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.374119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.374119 (E_RNA)
where:
Base-Base interactions energy: -163.730
where: short stacking energy: -72.295
Base-Backbone interact. energy: -0.023
local terms energy: -63.620511
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -18.637
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: 470
Temperature: 1.200000
Total energy: -235.644754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.644754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.644754 (E_RNA)
where:
Base-Base interactions energy: -160.372
where: short stacking energy: -76.819
Base-Backbone interact. energy: -0.096
local terms energy: -75.176710
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -201.631189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.631189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.631189 (E_RNA)
where:
Base-Base interactions energy: -141.287
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.343
local terms energy: -60.000824
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -6.514
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: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -213.873741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.873741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.873741 (E_RNA)
where:
Base-Base interactions energy: -151.702
where: short stacking energy: -68.341
Base-Backbone interact. energy: -0.290
local terms energy: -61.881880
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -79.009545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.009545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.009545 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -30.556
Base-Backbone interact. energy: 2.840
local terms energy: -48.899848
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -12.073
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: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -253.993871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.993871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.993871 (E_RNA)
where:
Base-Base interactions energy: -172.411
where: short stacking energy: -81.942
Base-Backbone interact. energy: -0.205
local terms energy: -81.377864
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -20.816
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: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -241.806984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.806984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.806984 (E_RNA)
where:
Base-Base interactions energy: -173.963
where: short stacking energy: -71.566
Base-Backbone interact. energy: -0.107
local terms energy: -67.736979
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -12.233
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: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -238.689053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.689053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.689053 (E_RNA)
where:
Base-Base interactions energy: -169.519
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.028
local terms energy: -69.141646
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.573
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: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -230.847929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.847929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.847929 (E_RNA)
where:
Base-Base interactions energy: -162.531
where: short stacking energy: -74.388
Base-Backbone interact. energy: -0.122
local terms energy: -68.194900
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -232.056192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.056192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.056192 (E_RNA)
where:
Base-Base interactions energy: -158.710
where: short stacking energy: -68.417
Base-Backbone interact. energy: -0.001
local terms energy: -73.345132
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -20.238
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: 471
Temperature: 1.150000
Total energy: -220.585162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.585162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.585162 (E_RNA)
where:
Base-Base interactions energy: -153.269
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.022
local terms energy: -67.294354
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -17.890
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: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -222.916465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.916465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.916465 (E_RNA)
where:
Base-Base interactions energy: -155.728
where: short stacking energy: -66.520
Base-Backbone interact. energy: -0.578
local terms energy: -66.610338
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -7.792
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: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -220.808588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.808588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.808588 (E_RNA)
where:
Base-Base interactions energy: -149.102
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.015
local terms energy: -71.692058
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -217.113342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.113342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.113342 (E_RNA)
where:
Base-Base interactions energy: -149.947
where: short stacking energy: -61.895
Base-Backbone interact. energy: -0.162
local terms energy: -67.004787
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -10.941
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: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -71.368352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.368352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.368352 (E_RNA)
where:
Base-Base interactions energy: -20.786
where: short stacking energy: -20.886
Base-Backbone interact. energy: -0.402
local terms energy: -50.180574
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -2.120
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: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -249.183088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.183088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.183088 (E_RNA)
where:
Base-Base interactions energy: -176.253
where: short stacking energy: -72.262
Base-Backbone interact. energy: -0.437
local terms energy: -72.492968
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -18.517
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: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -240.586556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.586556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.586556 (E_RNA)
where:
Base-Base interactions energy: -163.504
where: short stacking energy: -76.928
Base-Backbone interact. energy: -0.324
local terms energy: -76.758728
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -22.125
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: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -235.899449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.899449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.899449 (E_RNA)
where:
Base-Base interactions energy: -161.485
where: short stacking energy: -77.980
Base-Backbone interact. energy: -0.134
local terms energy: -74.280208
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -238.230304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.230304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.230304 (E_RNA)
where:
Base-Base interactions energy: -166.270
where: short stacking energy: -78.042
Base-Backbone interact. energy: -0.249
local terms energy: -71.710939
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -224.651387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.651387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.651387 (E_RNA)
where:
Base-Base interactions energy: -154.496
where: short stacking energy: -74.963
Base-Backbone interact. energy: -0.051
local terms energy: -70.104831
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -19.661
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: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -219.595021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.595021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.595021 (E_RNA)
where:
Base-Base interactions energy: -151.864
where: short stacking energy: -65.430
Base-Backbone interact. energy: -0.352
local terms energy: -67.378494
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -12.268
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: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -212.460450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.460450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.460450 (E_RNA)
where:
Base-Base interactions energy: -153.867
where: short stacking energy: -67.542
Base-Backbone interact. energy: 0.252
local terms energy: -58.844811
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -185.880245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.880245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.880245 (E_RNA)
where:
Base-Base interactions energy: -134.904
where: short stacking energy: -50.889
Base-Backbone interact. energy: -0.213
local terms energy: -50.763341
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -7.803
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: 472
Temperature: 1.300000
Total energy: -204.261112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.261112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.261112 (E_RNA)
where:
Base-Base interactions energy: -147.889
where: short stacking energy: -62.242
Base-Backbone interact. energy: -0.001
local terms energy: -56.371381
where:
bonds (distance) C4'-P energy: -7.377
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -78.953279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.953279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.953279 (E_RNA)
where:
Base-Base interactions energy: -39.523
where: short stacking energy: -27.751
Base-Backbone interact. energy: 2.007
local terms energy: -41.437759
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -1.478
tors. eta vs tors. theta energy: -3.332
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: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -242.514858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.514858 (E_RNA)
where:
Base-Base interactions energy: -170.801
where: short stacking energy: -66.468
Base-Backbone interact. energy: -0.758
local terms energy: -70.955859
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -248.536382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.536382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.536382 (E_RNA)
where:
Base-Base interactions energy: -165.893
where: short stacking energy: -70.415
Base-Backbone interact. energy: -1.638
local terms energy: -81.005500
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -21.436
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: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -238.076704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.076704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.076704 (E_RNA)
where:
Base-Base interactions energy: -163.732
where: short stacking energy: -80.199
Base-Backbone interact. energy: -0.101
local terms energy: -74.244013
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -229.661230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.661230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.661230 (E_RNA)
where:
Base-Base interactions energy: -159.708
where: short stacking energy: -71.809
Base-Backbone interact. energy: -0.841
local terms energy: -69.112080
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.596
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: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -224.066027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.066027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.066027 (E_RNA)
where:
Base-Base interactions energy: -154.422
where: short stacking energy: -73.645
Base-Backbone interact. energy: 1.713
local terms energy: -71.357617
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -227.403563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.403563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.403563 (E_RNA)
where:
Base-Base interactions energy: -164.910
where: short stacking energy: -59.539
Base-Backbone interact. energy: -0.183
local terms energy: -62.311134
where:
bonds (distance) C4'-P energy: -7.927
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -14.495
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: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -221.011062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.011062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.011062 (E_RNA)
where:
Base-Base interactions energy: -155.948
where: short stacking energy: -64.555
Base-Backbone interact. energy: -0.007
local terms energy: -65.055529
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -203.437781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.437781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.437781 (E_RNA)
where:
Base-Base interactions energy: -144.474
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.538
local terms energy: -58.425602
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -12.090
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: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -155.990537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.990537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.990537 (E_RNA)
where:
Base-Base interactions energy: -96.290
where: short stacking energy: -45.835
Base-Backbone interact. energy: -0.513
local terms energy: -59.188142
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -77.622178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.622178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.622178 (E_RNA)
where:
Base-Base interactions energy: -27.143
where: short stacking energy: -21.160
Base-Backbone interact. energy: -0.067
local terms energy: -50.411464
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -6.661
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: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -249.436555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.436555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.436555 (E_RNA)
where:
Base-Base interactions energy: -167.599
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.092
local terms energy: -81.745120
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -19.255
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: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -237.929092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.929092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.929092 (E_RNA)
where:
Base-Base interactions energy: -163.688
where: short stacking energy: -72.150
Base-Backbone interact. energy: 0.489
local terms energy: -74.730099
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -10.689
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: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -239.250789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.250789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.250789 (E_RNA)
where:
Base-Base interactions energy: -170.435
where: short stacking energy: -64.743
Base-Backbone interact. energy: -0.206
local terms energy: -68.609440
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -238.120377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.120377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.120377 (E_RNA)
where:
Base-Base interactions energy: -166.275
where: short stacking energy: -73.625
Base-Backbone interact. energy: -0.541
local terms energy: -71.304174
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -231.942557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.942557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.942557 (E_RNA)
where:
Base-Base interactions energy: -158.095
where: short stacking energy: -70.937
Base-Backbone interact. energy: -0.001
local terms energy: -73.846322
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -20.511
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: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -224.811315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.811315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.811315 (E_RNA)
where:
Base-Base interactions energy: -152.725
where: short stacking energy: -62.756
Base-Backbone interact. energy: -0.077
local terms energy: -72.009395
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -16.805
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: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -214.187793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.187793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.187793 (E_RNA)
where:
Base-Base interactions energy: -142.605
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.982
local terms energy: -70.600595
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -11.148
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: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -223.438855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.438855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.438855 (E_RNA)
where:
Base-Base interactions energy: -160.932
where: short stacking energy: -74.546
Base-Backbone interact. energy: -0.020
local terms energy: -62.487459
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -17.611
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: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -152.789774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.789774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.789774 (E_RNA)
where:
Base-Base interactions energy: -106.104
where: short stacking energy: -47.357
Base-Backbone interact. energy: -0.425
local terms energy: -46.261248
where:
bonds (distance) C4'-P energy: -7.729
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -74.914907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.914907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.914907 (E_RNA)
where:
Base-Base interactions energy: -27.743
where: short stacking energy: -16.926
Base-Backbone interact. energy: -1.257
local terms energy: -45.914613
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -12.915
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: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -246.900701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.900701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.900701 (E_RNA)
where:
Base-Base interactions energy: -163.723
where: short stacking energy: -75.302
Base-Backbone interact. energy: -0.177
local terms energy: -83.001114
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -21.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -240.317544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.317544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.317544 (E_RNA)
where:
Base-Base interactions energy: -165.016
where: short stacking energy: -77.173
Base-Backbone interact. energy: -0.043
local terms energy: -75.259318
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -232.158732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.158732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.158732 (E_RNA)
where:
Base-Base interactions energy: -172.587
where: short stacking energy: -73.660
Base-Backbone interact. energy: 0.056
local terms energy: -59.628013
where:
bonds (distance) C4'-P energy: -6.900
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -18.634
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: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -231.823272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.823272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.823272 (E_RNA)
where:
Base-Base interactions energy: -165.981
where: short stacking energy: -71.871
Base-Backbone interact. energy: -0.085
local terms energy: -65.758130
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -227.890251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.890251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.890251 (E_RNA)
where:
Base-Base interactions energy: -159.630
where: short stacking energy: -70.894
Base-Backbone interact. energy: -0.035
local terms energy: -68.225908
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -223.429380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.429380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.429380 (E_RNA)
where:
Base-Base interactions energy: -154.007
where: short stacking energy: -61.701
Base-Backbone interact. energy: 0.252
local terms energy: -69.673810
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -219.425051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.425051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.425051 (E_RNA)
where:
Base-Base interactions energy: -161.917
where: short stacking energy: -67.342
Base-Backbone interact. energy: 0.188
local terms energy: -57.695621
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -209.495060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.495060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.495060 (E_RNA)
where:
Base-Base interactions energy: -147.586
where: short stacking energy: -66.773
Base-Backbone interact. energy: -0.053
local terms energy: -61.856457
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -191.399037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.399037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.399037 (E_RNA)
where:
Base-Base interactions energy: -130.283
where: short stacking energy: -54.599
Base-Backbone interact. energy: 0.524
local terms energy: -61.639831
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -8.016
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: 10, replica: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -73.759363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.759363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.759363 (E_RNA)
where:
Base-Base interactions energy: -31.070
where: short stacking energy: -26.120
Base-Backbone interact. energy: -0.087
local terms energy: -42.602395
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -246.328186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.328186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.328186 (E_RNA)
where:
Base-Base interactions energy: -173.072
where: short stacking energy: -72.809
Base-Backbone interact. energy: -0.156
local terms energy: -73.100395
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -241.192728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.192728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.192728 (E_RNA)
where:
Base-Base interactions energy: -166.171
where: short stacking energy: -74.342
Base-Backbone interact. energy: -0.158
local terms energy: -74.863723
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -234.222424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.222424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.222424 (E_RNA)
where:
Base-Base interactions energy: -158.590
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.076
local terms energy: -75.556595
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -22.490
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: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -234.862004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.862004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.862004 (E_RNA)
where:
Base-Base interactions energy: -162.822
where: short stacking energy: -79.460
Base-Backbone interact. energy: -0.007
local terms energy: -72.033141
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -20.105
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: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -214.705165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.705165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.705165 (E_RNA)
where:
Base-Base interactions energy: -146.244
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.001
local terms energy: -68.459999
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -15.476
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: 476
Temperature: 1.150000
Total energy: -221.020386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.020386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.020386 (E_RNA)
where:
Base-Base interactions energy: -155.016
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.287
local terms energy: -65.717473
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -211.686260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.686260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.686260 (E_RNA)
where:
Base-Base interactions energy: -154.764
where: short stacking energy: -64.935
Base-Backbone interact. energy: -0.203
local terms energy: -56.718891
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -11.437
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: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -211.662450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.662450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.662450 (E_RNA)
where:
Base-Base interactions energy: -155.066
where: short stacking energy: -65.707
Base-Backbone interact. energy: -0.486
local terms energy: -56.110086
where:
bonds (distance) C4'-P energy: -7.046
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.352
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: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -218.559998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.559998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.559998 (E_RNA)
where:
Base-Base interactions energy: -150.139
where: short stacking energy: -64.144
Base-Backbone interact. energy: -0.259
local terms energy: -68.161805
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -9.209
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: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -78.081782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.081782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.081782 (E_RNA)
where:
Base-Base interactions energy: -30.434
where: short stacking energy: -27.235
Base-Backbone interact. energy: 0.082
local terms energy: -47.729499
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: 1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -247.235844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.235844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.235844 (E_RNA)
where:
Base-Base interactions energy: -167.999
where: short stacking energy: -80.449
Base-Backbone interact. energy: -0.239
local terms energy: -78.998612
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -246.360073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.360073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.360073 (E_RNA)
where:
Base-Base interactions energy: -168.558
where: short stacking energy: -74.568
Base-Backbone interact. energy: -0.573
local terms energy: -77.229269
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -238.814625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.814625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.814625 (E_RNA)
where:
Base-Base interactions energy: -165.415
where: short stacking energy: -71.708
Base-Backbone interact. energy: -0.468
local terms energy: -72.931314
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -227.805157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.805157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.805157 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -67.703
Base-Backbone interact. energy: -0.194
local terms energy: -72.906816
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -228.932224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.932224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.932224 (E_RNA)
where:
Base-Base interactions energy: -157.860
where: short stacking energy: -73.236
Base-Backbone interact. energy: -0.057
local terms energy: -71.014681
where:
bonds (distance) C4'-P energy: -6.019
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -227.587791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.587791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.587791 (E_RNA)
where:
Base-Base interactions energy: -154.989
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.434
local terms energy: -72.164641
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -16.315
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: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -232.008374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.008374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.008374 (E_RNA)
where:
Base-Base interactions energy: -158.248
where: short stacking energy: -75.739
Base-Backbone interact. energy: -0.004
local terms energy: -73.756868
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -214.381310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.381310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.381310 (E_RNA)
where:
Base-Base interactions energy: -152.721
where: short stacking energy: -65.095
Base-Backbone interact. energy: -0.000
local terms energy: -61.659728
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -205.554447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.554447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.554447 (E_RNA)
where:
Base-Base interactions energy: -144.095
where: short stacking energy: -65.955
Base-Backbone interact. energy: -0.893
local terms energy: -60.566090
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -12.990
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: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -77.723246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.723246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.723246 (E_RNA)
where:
Base-Base interactions energy: -33.735
where: short stacking energy: -18.017
Base-Backbone interact. energy: -0.149
local terms energy: -43.839157
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -0.567
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: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -247.547405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.547405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.547405 (E_RNA)
where:
Base-Base interactions energy: -171.015
where: short stacking energy: -79.765
Base-Backbone interact. energy: -1.153
local terms energy: -75.380150
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -239.259447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.259447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.259447 (E_RNA)
where:
Base-Base interactions energy: -166.385
where: short stacking energy: -76.051
Base-Backbone interact. energy: -0.000
local terms energy: -72.874429
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -21.318
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: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -232.844454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.844454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.844454 (E_RNA)
where:
Base-Base interactions energy: -158.609
where: short stacking energy: -72.833
Base-Backbone interact. energy: -0.021
local terms energy: -74.215141
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -230.894357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.894357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.894357 (E_RNA)
where:
Base-Base interactions energy: -164.682
where: short stacking energy: -72.698
Base-Backbone interact. energy: -1.088
local terms energy: -65.124944
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -7.785
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -229.525184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.525184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.525184 (E_RNA)
where:
Base-Base interactions energy: -162.485
where: short stacking energy: -69.446
Base-Backbone interact. energy: -0.010
local terms energy: -67.030050
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -17.632
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: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -224.261275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.261275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.261275 (E_RNA)
where:
Base-Base interactions energy: -157.362
where: short stacking energy: -65.475
Base-Backbone interact. energy: -1.071
local terms energy: -65.827981
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -16.144
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: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -220.170297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.170297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.170297 (E_RNA)
where:
Base-Base interactions energy: -165.035
where: short stacking energy: -72.495
Base-Backbone interact. energy: 0.268
local terms energy: -55.403310
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -11.728
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: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -222.819490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.819490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.819490 (E_RNA)
where:
Base-Base interactions energy: -161.606
where: short stacking energy: -72.682
Base-Backbone interact. energy: -0.006
local terms energy: -61.207488
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -219.466132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.466132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.466132 (E_RNA)
where:
Base-Base interactions energy: -154.188
where: short stacking energy: -67.910
Base-Backbone interact. energy: -0.001
local terms energy: -65.276406
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -18.925
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: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -77.421324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.421324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.421324 (E_RNA)
where:
Base-Base interactions energy: -31.398
where: short stacking energy: -27.971
Base-Backbone interact. energy: -0.114
local terms energy: -45.908374
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -2.476
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: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -240.565827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.565827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.565827 (E_RNA)
where:
Base-Base interactions energy: -167.036
where: short stacking energy: -75.910
Base-Backbone interact. energy: -0.576
local terms energy: -72.953988
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -241.672581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.672581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.672581 (E_RNA)
where:
Base-Base interactions energy: -161.234
where: short stacking energy: -80.136
Base-Backbone interact. energy: -0.003
local terms energy: -80.435551
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -22.587
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: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -223.393698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.393698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.393698 (E_RNA)
where:
Base-Base interactions energy: -153.128
where: short stacking energy: -62.887
Base-Backbone interact. energy: -0.093
local terms energy: -70.173415
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -12.416
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: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -234.972214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.972214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.972214 (E_RNA)
where:
Base-Base interactions energy: -156.478
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.025
local terms energy: -78.469216
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -18.997
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: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -220.334003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.334003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.334003 (E_RNA)
where:
Base-Base interactions energy: -154.406
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.100
local terms energy: -65.827833
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -8.433
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -9.435
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: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -210.884177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.884177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.884177 (E_RNA)
where:
Base-Base interactions energy: -148.504
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.497
local terms energy: -61.883511
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -14.231
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: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -230.017308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.017308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.017308 (E_RNA)
where:
Base-Base interactions energy: -159.770
where: short stacking energy: -71.743
Base-Backbone interact. energy: -0.289
local terms energy: -69.958653
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -18.069
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: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -215.660656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.660656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.660656 (E_RNA)
where:
Base-Base interactions energy: -150.773
where: short stacking energy: -71.763
Base-Backbone interact. energy: -0.253
local terms energy: -64.634954
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -17.766
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: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -218.464337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.464337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.464337 (E_RNA)
where:
Base-Base interactions energy: -153.399
where: short stacking energy: -73.697
Base-Backbone interact. energy: -0.069
local terms energy: -64.996699
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -16.860
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: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -75.383483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.383483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.383483 (E_RNA)
where:
Base-Base interactions energy: -24.119
where: short stacking energy: -24.119
Base-Backbone interact. energy: 0.868
local terms energy: -52.132972
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -251.191284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.191284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.191284 (E_RNA)
where:
Base-Base interactions energy: -171.958
where: short stacking energy: -76.080
Base-Backbone interact. energy: -1.966
local terms energy: -77.266981
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -241.368436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.368436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.368436 (E_RNA)
where:
Base-Base interactions energy: -167.589
where: short stacking energy: -81.667
Base-Backbone interact. energy: -0.003
local terms energy: -73.777341
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -233.898135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.898135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.898135 (E_RNA)
where:
Base-Base interactions energy: -162.880
where: short stacking energy: -79.331
Base-Backbone interact. energy: -0.294
local terms energy: -70.724508
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -236.894061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.894061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.894061 (E_RNA)
where:
Base-Base interactions energy: -164.504
where: short stacking energy: -75.973
Base-Backbone interact. energy: -0.158
local terms energy: -72.232060
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -20.718
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: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -219.969587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.969587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.969587 (E_RNA)
where:
Base-Base interactions energy: -156.217
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.000
local terms energy: -63.752204
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -12.667
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: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -216.672121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.672121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.672121 (E_RNA)
where:
Base-Base interactions energy: -149.622
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.075
local terms energy: -66.974813
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -17.404
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: 480
Temperature: 1.200000
Total energy: -229.835501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.835501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.835501 (E_RNA)
where:
Base-Base interactions energy: -160.298
where: short stacking energy: -72.896
Base-Backbone interact. energy: -0.165
local terms energy: -69.371836
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -215.511058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.511058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.511058 (E_RNA)
where:
Base-Base interactions energy: -143.748
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.006
local terms energy: -71.757753
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -209.563725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.563725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.563725 (E_RNA)
where:
Base-Base interactions energy: -146.540
where: short stacking energy: -67.177
Base-Backbone interact. energy: -0.002
local terms energy: -63.021708
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -72.725238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.725238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.725238 (E_RNA)
where:
Base-Base interactions energy: -22.875
where: short stacking energy: -24.975
Base-Backbone interact. energy: -0.085
local terms energy: -49.765707
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: 1.978
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: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -246.857343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.857343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.857343 (E_RNA)
where:
Base-Base interactions energy: -168.974
where: short stacking energy: -75.997
Base-Backbone interact. energy: -0.003
local terms energy: -77.880601
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -246.004585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.004585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.004585 (E_RNA)
where:
Base-Base interactions energy: -170.092
where: short stacking energy: -75.251
Base-Backbone interact. energy: -0.005
local terms energy: -75.907421
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -18.300
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: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -242.237909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.237909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.237909 (E_RNA)
where:
Base-Base interactions energy: -170.291
where: short stacking energy: -74.830
Base-Backbone interact. energy: -0.001
local terms energy: -71.945494
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -237.723926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.723926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.723926 (E_RNA)
where:
Base-Base interactions energy: -166.955
where: short stacking energy: -70.306
Base-Backbone interact. energy: -0.150
local terms energy: -70.618804
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -226.034486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.034486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.034486 (E_RNA)
where:
Base-Base interactions energy: -156.325
where: short stacking energy: -65.616
Base-Backbone interact. energy: -0.244
local terms energy: -69.465548
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -220.425010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.425010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425010 (E_RNA)
where:
Base-Base interactions energy: -150.106
where: short stacking energy: -67.534
Base-Backbone interact. energy: -0.064
local terms energy: -70.254928
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -17.650
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: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -221.909348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.909348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.909348 (E_RNA)
where:
Base-Base interactions energy: -154.177
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.599
local terms energy: -67.133780
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -210.032082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.032082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.032082 (E_RNA)
where:
Base-Base interactions energy: -148.902
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.486
local terms energy: -60.643952
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.865
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: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -178.082369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.082369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.082369 (E_RNA)
where:
Base-Base interactions energy: -130.837
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.361
local terms energy: -46.885014
where:
bonds (distance) C4'-P energy: -3.351
bonds (distance) P-C4' energy: -8.065
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -10.278
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: 481
Temperature: 1.350000
Total energy: -72.050212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.050212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.050212 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.007
local terms energy: -43.400402
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -1.881
tors. eta vs tors. theta energy: -7.731
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: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -242.605858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.605858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.605858 (E_RNA)
where:
Base-Base interactions energy: -160.770
where: short stacking energy: -77.328
Base-Backbone interact. energy: -0.003
local terms energy: -81.832637
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -242.314257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.314257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.314257 (E_RNA)
where:
Base-Base interactions energy: -168.700
where: short stacking energy: -72.722
Base-Backbone interact. energy: -0.001
local terms energy: -73.613017
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -244.316713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.316713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.316713 (E_RNA)
where:
Base-Base interactions energy: -166.357
where: short stacking energy: -69.332
Base-Backbone interact. energy: -0.018
local terms energy: -77.942251
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -233.755232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.755232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.755232 (E_RNA)
where:
Base-Base interactions energy: -158.925
where: short stacking energy: -72.836
Base-Backbone interact. energy: -0.001
local terms energy: -74.829070
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -231.243835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.243835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.243835 (E_RNA)
where:
Base-Base interactions energy: -158.007
where: short stacking energy: -65.770
Base-Backbone interact. energy: -0.704
local terms energy: -72.533113
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -11.669
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: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -234.496946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.496946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.496946 (E_RNA)
where:
Base-Base interactions energy: -160.830
where: short stacking energy: -73.165
Base-Backbone interact. energy: -0.004
local terms energy: -73.662874
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -230.252597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.252597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.252597 (E_RNA)
where:
Base-Base interactions energy: -161.866
where: short stacking energy: -74.060
Base-Backbone interact. energy: -0.001
local terms energy: -68.385448
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -222.131660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.131660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.131660 (E_RNA)
where:
Base-Base interactions energy: -149.215
where: short stacking energy: -73.536
Base-Backbone interact. energy: -0.213
local terms energy: -72.702941
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -184.900530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.900530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.900530 (E_RNA)
where:
Base-Base interactions energy: -127.394
where: short stacking energy: -52.104
Base-Backbone interact. energy: -0.273
local terms energy: -57.233668
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -80.040245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.040245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.040245 (E_RNA)
where:
Base-Base interactions energy: -33.465
where: short stacking energy: -21.464
Base-Backbone interact. energy: -0.217
local terms energy: -46.358490
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -243.706130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.706130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.706130 (E_RNA)
where:
Base-Base interactions energy: -172.415
where: short stacking energy: -76.433
Base-Backbone interact. energy: -0.157
local terms energy: -71.135042
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -240.589502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.589502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.589502 (E_RNA)
where:
Base-Base interactions energy: -168.057
where: short stacking energy: -76.736
Base-Backbone interact. energy: -0.001
local terms energy: -72.531396
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -18.707
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: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -245.292846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.292846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.292846 (E_RNA)
where:
Base-Base interactions energy: -170.048
where: short stacking energy: -80.537
Base-Backbone interact. energy: -0.045
local terms energy: -75.200192
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -21.956
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: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -231.302510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.302510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.302510 (E_RNA)
where:
Base-Base interactions energy: -159.791
where: short stacking energy: -65.668
Base-Backbone interact. energy: -0.339
local terms energy: -71.172595
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -10.530
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: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -223.736108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.736108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.736108 (E_RNA)
where:
Base-Base interactions energy: -150.921
where: short stacking energy: -63.263
Base-Backbone interact. energy: -0.249
local terms energy: -72.565917
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -18.966
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: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -214.464806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.464806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464806 (E_RNA)
where:
Base-Base interactions energy: -148.262
where: short stacking energy: -64.622
Base-Backbone interact. energy: 0.160
local terms energy: -66.363532
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -19.230
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: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -220.301375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.301375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.301375 (E_RNA)
where:
Base-Base interactions energy: -146.564
where: short stacking energy: -60.592
Base-Backbone interact. energy: -1.080
local terms energy: -72.657382
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -218.099763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.099763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.099763 (E_RNA)
where:
Base-Base interactions energy: -149.252
where: short stacking energy: -65.602
Base-Backbone interact. energy: -0.003
local terms energy: -68.844776
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -20.350
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: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -201.831807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.831807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.831807 (E_RNA)
where:
Base-Base interactions energy: -141.899
where: short stacking energy: -58.616
Base-Backbone interact. energy: 3.101
local terms energy: -63.034658
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -6.271
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: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -82.786278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.786278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.786278 (E_RNA)
where:
Base-Base interactions energy: -33.810
where: short stacking energy: -33.810
Base-Backbone interact. energy: 3.632
local terms energy: -52.608659
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -5.751
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: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -248.582455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.582455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.582455 (E_RNA)
where:
Base-Base interactions energy: -170.024
where: short stacking energy: -81.862
Base-Backbone interact. energy: -0.002
local terms energy: -78.556861
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -244.125628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.125628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.125628 (E_RNA)
where:
Base-Base interactions energy: -171.411
where: short stacking energy: -81.822
Base-Backbone interact. energy: -0.316
local terms energy: -72.398623
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -229.323740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.323740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.323740 (E_RNA)
where:
Base-Base interactions energy: -155.335
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.209
local terms energy: -73.780222
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -233.042167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.042167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.042167 (E_RNA)
where:
Base-Base interactions energy: -159.561
where: short stacking energy: -76.277
Base-Backbone interact. energy: -0.593
local terms energy: -72.888081
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -226.120390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.120390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.120390 (E_RNA)
where:
Base-Base interactions energy: -161.325
where: short stacking energy: -62.659
Base-Backbone interact. energy: -0.076
local terms energy: -64.719719
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.440
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: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -222.578809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.578809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.578809 (E_RNA)
where:
Base-Base interactions energy: -157.813
where: short stacking energy: -72.322
Base-Backbone interact. energy: -0.278
local terms energy: -64.487457
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.439
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: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -221.355577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.355577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.355577 (E_RNA)
where:
Base-Base interactions energy: -154.269
where: short stacking energy: -64.685
Base-Backbone interact. energy: -0.001
local terms energy: -67.086117
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -8.930
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -203.334091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.334091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.334091 (E_RNA)
where:
Base-Base interactions energy: -153.920
where: short stacking energy: -58.386
Base-Backbone interact. energy: -0.414
local terms energy: -49.000096
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -7.311
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -14.225
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: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -197.417000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.417000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.417000 (E_RNA)
where:
Base-Base interactions energy: -137.265
where: short stacking energy: -60.519
Base-Backbone interact. energy: -0.079
local terms energy: -60.073623
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -7.720
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: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -76.074054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.074054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.074054 (E_RNA)
where:
Base-Base interactions energy: -36.718
where: short stacking energy: -26.548
Base-Backbone interact. energy: -0.094
local terms energy: -39.262136
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -5.055
flat angles P-C4'-P energy: -7.612
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: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -244.630677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.630677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.630677 (E_RNA)
where:
Base-Base interactions energy: -167.624
where: short stacking energy: -78.149
Base-Backbone interact. energy: -0.012
local terms energy: -76.994203
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -18.919
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: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -242.362597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.362597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.362597 (E_RNA)
where:
Base-Base interactions energy: -166.395
where: short stacking energy: -79.860
Base-Backbone interact. energy: -0.168
local terms energy: -75.799494
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -20.044
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: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -242.833986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.833986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.833986 (E_RNA)
where:
Base-Base interactions energy: -168.471
where: short stacking energy: -70.664
Base-Backbone interact. energy: -0.022
local terms energy: -74.340956
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -17.075
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: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -235.538507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.538507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.538507 (E_RNA)
where:
Base-Base interactions energy: -160.015
where: short stacking energy: -73.048
Base-Backbone interact. energy: -1.406
local terms energy: -74.117340
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -226.974357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.974357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.974357 (E_RNA)
where:
Base-Base interactions energy: -161.147
where: short stacking energy: -71.175
Base-Backbone interact. energy: 0.076
local terms energy: -65.902970
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -17.816
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: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -222.895537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.895537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.895537 (E_RNA)
where:
Base-Base interactions energy: -156.183
where: short stacking energy: -68.751
Base-Backbone interact. energy: -0.072
local terms energy: -66.641214
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.615
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: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -225.614063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.614063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.614063 (E_RNA)
where:
Base-Base interactions energy: -156.091
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.079
local terms energy: -69.444663
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -21.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -221.598131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.598131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.598131 (E_RNA)
where:
Base-Base interactions energy: -150.863
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.883
local terms energy: -69.852641
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.965
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: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -211.909320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.909320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.909320 (E_RNA)
where:
Base-Base interactions energy: -140.379
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.016
local terms energy: -71.515176
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -78.599586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.599586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.599586 (E_RNA)
where:
Base-Base interactions energy: -29.854
where: short stacking energy: -29.854
Base-Backbone interact. energy: -0.867
local terms energy: -47.878180
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -2.725
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: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -247.354880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.354880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.354880 (E_RNA)
where:
Base-Base interactions energy: -171.460
where: short stacking energy: -78.740
Base-Backbone interact. energy: -0.003
local terms energy: -75.890943
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -22.277
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: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -241.680123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.680123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.680123 (E_RNA)
where:
Base-Base interactions energy: -165.676
where: short stacking energy: -74.103
Base-Backbone interact. energy: -0.001
local terms energy: -76.002950
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -239.710795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.710795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.710795 (E_RNA)
where:
Base-Base interactions energy: -165.629
where: short stacking energy: -72.747
Base-Backbone interact. energy: -1.915
local terms energy: -72.167197
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -238.535782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.535782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.535782 (E_RNA)
where:
Base-Base interactions energy: -167.619
where: short stacking energy: -75.371
Base-Backbone interact. energy: -0.002
local terms energy: -70.914053
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -213.366118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.366118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.366118 (E_RNA)
where:
Base-Base interactions energy: -144.334
where: short stacking energy: -57.217
Base-Backbone interact. energy: -0.605
local terms energy: -68.427264
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -225.644181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.644181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.644181 (E_RNA)
where:
Base-Base interactions energy: -157.502
where: short stacking energy: -70.626
Base-Backbone interact. energy: 0.906
local terms energy: -69.049134
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -222.647230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.647230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.647230 (E_RNA)
where:
Base-Base interactions energy: -154.220
where: short stacking energy: -70.547
Base-Backbone interact. energy: -0.097
local terms energy: -68.330128
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -18.280
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: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -208.520319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.520319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.520319 (E_RNA)
where:
Base-Base interactions energy: -154.797
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.725
local terms energy: -52.998226
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -217.365332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.365332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.365332 (E_RNA)
where:
Base-Base interactions energy: -155.180
where: short stacking energy: -63.336
Base-Backbone interact. energy: 0.108
local terms energy: -62.292847
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -87.317161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.317161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.317161 (E_RNA)
where:
Base-Base interactions energy: -33.088
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.262
local terms energy: -53.966826
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -9.879
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: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -247.468152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.468152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.468152 (E_RNA)
where:
Base-Base interactions energy: -167.665
where: short stacking energy: -78.955
Base-Backbone interact. energy: -2.036
local terms energy: -77.767099
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -243.551741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.551741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.551741 (E_RNA)
where:
Base-Base interactions energy: -169.777
where: short stacking energy: -79.448
Base-Backbone interact. energy: -0.434
local terms energy: -73.340882
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -20.756
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: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -240.145041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.145041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.145041 (E_RNA)
where:
Base-Base interactions energy: -170.693
where: short stacking energy: -79.077
Base-Backbone interact. energy: -0.003
local terms energy: -69.449415
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -231.658883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.658883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.658883 (E_RNA)
where:
Base-Base interactions energy: -162.623
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.780
local terms energy: -68.256026
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -17.774
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: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -221.071693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.071693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.071693 (E_RNA)
where:
Base-Base interactions energy: -153.580
where: short stacking energy: -64.865
Base-Backbone interact. energy: -0.003
local terms energy: -67.488056
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -17.350
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: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -223.567594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.567594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.567594 (E_RNA)
where:
Base-Base interactions energy: -148.985
where: short stacking energy: -55.048
Base-Backbone interact. energy: -0.129
local terms energy: -74.453817
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -205.546591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.546591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.546591 (E_RNA)
where:
Base-Base interactions energy: -143.702
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.040
local terms energy: -61.804831
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -9.387
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: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -212.445375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.445375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.445375 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.008
local terms energy: -64.382367
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -173.790606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.790606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.790606 (E_RNA)
where:
Base-Base interactions energy: -128.834
where: short stacking energy: -50.760
Base-Backbone interact. energy: -0.141
local terms energy: -44.815662
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -6.696
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -74.742896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.742896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.742896 (E_RNA)
where:
Base-Base interactions energy: -29.739
where: short stacking energy: -27.084
Base-Backbone interact. energy: -0.754
local terms energy: -44.249743
where:
bonds (distance) C4'-P energy: -7.194
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: 1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -243.605606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.605606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.605606 (E_RNA)
where:
Base-Base interactions energy: -172.755
where: short stacking energy: -73.302
Base-Backbone interact. energy: -0.002
local terms energy: -70.848984
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -244.094965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.094965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.094965 (E_RNA)
where:
Base-Base interactions energy: -163.528
where: short stacking energy: -80.708
Base-Backbone interact. energy: -0.289
local terms energy: -80.278177
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -20.406
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: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -237.264043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.264043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.264043 (E_RNA)
where:
Base-Base interactions energy: -163.986
where: short stacking energy: -77.704
Base-Backbone interact. energy: -0.001
local terms energy: -73.276917
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -19.189
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: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -227.321202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.321202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.321202 (E_RNA)
where:
Base-Base interactions energy: -154.595
where: short stacking energy: -67.238
Base-Backbone interact. energy: -0.001
local terms energy: -72.725756
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -231.208191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.208191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.208191 (E_RNA)
where:
Base-Base interactions energy: -160.763
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.216
local terms energy: -70.229098
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -18.249
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: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -219.744569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.744569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.744569 (E_RNA)
where:
Base-Base interactions energy: -156.266
where: short stacking energy: -62.956
Base-Backbone interact. energy: -0.010
local terms energy: -63.468409
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -8.520
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: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -214.980352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.980352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.980352 (E_RNA)
where:
Base-Base interactions energy: -149.547
where: short stacking energy: -71.205
Base-Backbone interact. energy: -0.009
local terms energy: -65.424782
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -216.235656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.235656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.235656 (E_RNA)
where:
Base-Base interactions energy: -157.393
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.009
local terms energy: -58.833914
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -1.185
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -169.866302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.866302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.866302 (E_RNA)
where:
Base-Base interactions energy: -118.708
where: short stacking energy: -49.952
Base-Backbone interact. energy: -0.239
local terms energy: -50.919381
where:
bonds (distance) C4'-P energy: -7.307
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -84.771930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.771930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.771930 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -28.895
Base-Backbone interact. energy: -0.342
local terms energy: -47.587497
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -244.614410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.614410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.614410 (E_RNA)
where:
Base-Base interactions energy: -163.247
where: short stacking energy: -76.763
Base-Backbone interact. energy: 2.479
local terms energy: -83.845831
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -21.987
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: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -247.622909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.622909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.622909 (E_RNA)
where:
Base-Base interactions energy: -173.317
where: short stacking energy: -82.382
Base-Backbone interact. energy: -1.290
local terms energy: -73.015255
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -242.805037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.805037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.805037 (E_RNA)
where:
Base-Base interactions energy: -166.270
where: short stacking energy: -74.745
Base-Backbone interact. energy: 0.408
local terms energy: -76.943083
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -234.690942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.690942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.690942 (E_RNA)
where:
Base-Base interactions energy: -156.532
where: short stacking energy: -72.816
Base-Backbone interact. energy: -0.220
local terms energy: -77.939164
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -240.213117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.213117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.213117 (E_RNA)
where:
Base-Base interactions energy: -163.079
where: short stacking energy: -78.187
Base-Backbone interact. energy: -0.007
local terms energy: -77.127228
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -231.049658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.049658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.049658 (E_RNA)
where:
Base-Base interactions energy: -156.217
where: short stacking energy: -75.522
Base-Backbone interact. energy: -0.039
local terms energy: -74.793635
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -20.697
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: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -217.481473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.481473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.481473 (E_RNA)
where:
Base-Base interactions energy: -146.547
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.121
local terms energy: -70.813313
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.580
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: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -172.327642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.327642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.327642 (E_RNA)
where:
Base-Base interactions energy: -113.932
where: short stacking energy: -53.927
Base-Backbone interact. energy: 1.133
local terms energy: -59.528169
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -229.138974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.138974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.138974 (E_RNA)
where:
Base-Base interactions energy: -161.551
where: short stacking energy: -73.280
Base-Backbone interact. energy: -0.000
local terms energy: -67.587787
where:
bonds (distance) C4'-P energy: -6.948
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -22.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -82.301055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.301055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.301055 (E_RNA)
where:
Base-Base interactions energy: -47.103
where: short stacking energy: -24.188
Base-Backbone interact. energy: -1.124
local terms energy: -34.074342
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: 4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -246.608474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.608474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.608474 (E_RNA)
where:
Base-Base interactions energy: -169.498
where: short stacking energy: -81.132
Base-Backbone interact. energy: -1.124
local terms energy: -75.986522
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -21.206
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: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -246.883660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.883660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.883660 (E_RNA)
where:
Base-Base interactions energy: -170.030
where: short stacking energy: -83.384
Base-Backbone interact. energy: -1.263
local terms energy: -75.590579
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -235.958035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.958035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.958035 (E_RNA)
where:
Base-Base interactions energy: -158.292
where: short stacking energy: -79.972
Base-Backbone interact. energy: -1.001
local terms energy: -76.664883
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -18.939
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: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -239.572265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.572265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.572265 (E_RNA)
where:
Base-Base interactions energy: -167.119
where: short stacking energy: -75.648
Base-Backbone interact. energy: -1.136
local terms energy: -71.317378
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -21.112
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: 490
Temperature: 1.100000
Total energy: -232.548577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.548577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.548577 (E_RNA)
where:
Base-Base interactions energy: -161.583
where: short stacking energy: -71.807
Base-Backbone interact. energy: -0.935
local terms energy: -70.031044
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -226.575856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.575856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.575856 (E_RNA)
where:
Base-Base interactions energy: -154.300
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.056
local terms energy: -72.219002
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -222.078518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.078518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.078518 (E_RNA)
where:
Base-Base interactions energy: -161.072
where: short stacking energy: -63.054
Base-Backbone interact. energy: -0.116
local terms energy: -60.890732
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -17.644
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: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -211.496647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.496647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.496647 (E_RNA)
where:
Base-Base interactions energy: -153.408
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.212
local terms energy: -57.877185
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -18.233
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: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -210.531705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.531705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.531705 (E_RNA)
where:
Base-Base interactions energy: -143.082
where: short stacking energy: -53.576
Base-Backbone interact. energy: -0.529
local terms energy: -66.920743
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -9.754
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: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -77.712026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.712026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.712026 (E_RNA)
where:
Base-Base interactions energy: -41.531
where: short stacking energy: -28.984
Base-Backbone interact. energy: 1.173
local terms energy: -37.354437
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: 1.164
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: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -249.619159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.619159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.619159 (E_RNA)
where:
Base-Base interactions energy: -175.200
where: short stacking energy: -74.669
Base-Backbone interact. energy: -0.158
local terms energy: -74.261452
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -238.531752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.531752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.531752 (E_RNA)
where:
Base-Base interactions energy: -167.758
where: short stacking energy: -78.024
Base-Backbone interact. energy: 0.487
local terms energy: -71.260260
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -18.062
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: 491
Temperature: 1.000000
Total energy: -238.989730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.989730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.989730 (E_RNA)
where:
Base-Base interactions energy: -162.386
where: short stacking energy: -63.388
Base-Backbone interact. energy: -0.580
local terms energy: -76.023144
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -235.440141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.440141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.440141 (E_RNA)
where:
Base-Base interactions energy: -168.140
where: short stacking energy: -74.308
Base-Backbone interact. energy: -0.001
local terms energy: -67.299204
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -20.594
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: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -236.346032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.346032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.346032 (E_RNA)
where:
Base-Base interactions energy: -161.214
where: short stacking energy: -67.537
Base-Backbone interact. energy: -0.228
local terms energy: -74.904673
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -20.253
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: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -212.314689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.314689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.314689 (E_RNA)
where:
Base-Base interactions energy: -149.172
where: short stacking energy: -53.447
Base-Backbone interact. energy: -0.138
local terms energy: -63.004779
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -14.687
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: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -224.311662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.311662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.311662 (E_RNA)
where:
Base-Base interactions energy: -154.740
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.136
local terms energy: -69.435799
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -13.335
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: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -214.764650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.764650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.764650 (E_RNA)
where:
Base-Base interactions energy: -146.425
where: short stacking energy: -68.467
Base-Backbone interact. energy: -0.011
local terms energy: -68.329587
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -18.780
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: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -202.768070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.768070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.768070 (E_RNA)
where:
Base-Base interactions energy: -143.724
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.043
local terms energy: -59.000660
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -13.749
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: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -77.606513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.606513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.606513 (E_RNA)
where:
Base-Base interactions energy: -34.094
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.082
local terms energy: -43.430576
where:
bonds (distance) C4'-P energy: -6.333
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -251.120171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.120171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.120171 (E_RNA)
where:
Base-Base interactions energy: -175.507
where: short stacking energy: -82.404
Base-Backbone interact. energy: -0.477
local terms energy: -75.136144
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -244.878962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.878962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.878962 (E_RNA)
where:
Base-Base interactions energy: -163.798
where: short stacking energy: -76.849
Base-Backbone interact. energy: -0.417
local terms energy: -80.663914
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -22.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -238.405151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.405151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.405151 (E_RNA)
where:
Base-Base interactions energy: -164.058
where: short stacking energy: -75.860
Base-Backbone interact. energy: -0.002
local terms energy: -74.344560
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -230.386262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.386262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.386262 (E_RNA)
where:
Base-Base interactions energy: -159.298
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.108
local terms energy: -70.980226
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -8.756
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: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -221.183473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.183473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.183473 (E_RNA)
where:
Base-Base interactions energy: -159.591
where: short stacking energy: -64.686
Base-Backbone interact. energy: -0.003
local terms energy: -61.588699
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -15.792
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: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -221.902430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.902430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.902430 (E_RNA)
where:
Base-Base interactions energy: -154.870
where: short stacking energy: -63.143
Base-Backbone interact. energy: -0.055
local terms energy: -66.976954
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -17.778
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: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -216.449749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.449749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.449749 (E_RNA)
where:
Base-Base interactions energy: -155.037
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.044
local terms energy: -61.369116
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -8.299
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -6.719
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: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -217.595271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.595271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.595271 (E_RNA)
where:
Base-Base interactions energy: -147.916
where: short stacking energy: -63.717
Base-Backbone interact. energy: 1.541
local terms energy: -71.219758
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -211.561016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.561016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.561016 (E_RNA)
where:
Base-Base interactions energy: -150.331
where: short stacking energy: -68.844
Base-Backbone interact. energy: -0.022
local terms energy: -61.208291
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -17.884
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: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -102.799069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.799069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.799069 (E_RNA)
where:
Base-Base interactions energy: -62.347
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.247
local terms energy: -40.205148
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -8.030
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -247.674977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.674977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.674977 (E_RNA)
where:
Base-Base interactions energy: -173.180
where: short stacking energy: -77.751
Base-Backbone interact. energy: -0.223
local terms energy: -74.271460
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -21.075
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: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -244.219749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.219749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.219749 (E_RNA)
where:
Base-Base interactions energy: -172.302
where: short stacking energy: -81.385
Base-Backbone interact. energy: -0.001
local terms energy: -71.916536
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -21.132
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: 3, replica: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -241.895887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.895887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.895887 (E_RNA)
where:
Base-Base interactions energy: -169.513
where: short stacking energy: -71.902
Base-Backbone interact. energy: -0.001
local terms energy: -72.381900
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -227.329494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.329494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.329494 (E_RNA)
where:
Base-Base interactions energy: -155.675
where: short stacking energy: -62.652
Base-Backbone interact. energy: -0.324
local terms energy: -71.331234
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.296
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: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -239.364160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.364160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.364160 (E_RNA)
where:
Base-Base interactions energy: -164.899
where: short stacking energy: -75.150
Base-Backbone interact. energy: -1.495
local terms energy: -72.970488
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -224.105347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.105347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.105347 (E_RNA)
where:
Base-Base interactions energy: -158.310
where: short stacking energy: -64.806
Base-Backbone interact. energy: -0.103
local terms energy: -65.691970
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -218.563846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.563846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.563846 (E_RNA)
where:
Base-Base interactions energy: -150.204
where: short stacking energy: -66.106
Base-Backbone interact. energy: -0.018
local terms energy: -68.342040
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -11.030
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: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -209.378152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.378152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.378152 (E_RNA)
where:
Base-Base interactions energy: -146.074
where: short stacking energy: -63.741
Base-Backbone interact. energy: 3.420
local terms energy: -66.724069
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -13.958
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: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -214.801937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.801937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.801937 (E_RNA)
where:
Base-Base interactions energy: -152.249
where: short stacking energy: -65.208
Base-Backbone interact. energy: -0.443
local terms energy: -62.109727
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -7.805
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: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -73.751612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.751612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.751612 (E_RNA)
where:
Base-Base interactions energy: -33.802
where: short stacking energy: -25.654
Base-Backbone interact. energy: -0.156
local terms energy: -39.793667
where:
bonds (distance) C4'-P energy: -7.062
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -250.146843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.146843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.146843 (E_RNA)
where:
Base-Base interactions energy: -169.552
where: short stacking energy: -78.284
Base-Backbone interact. energy: -0.001
local terms energy: -80.593241
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -19.044
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: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -244.378697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.378697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.378697 (E_RNA)
where:
Base-Base interactions energy: -166.369
where: short stacking energy: -74.622
Base-Backbone interact. energy: -0.006
local terms energy: -78.004407
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -241.145819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.145819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.145819 (E_RNA)
where:
Base-Base interactions energy: -166.096
where: short stacking energy: -74.498
Base-Backbone interact. energy: -0.122
local terms energy: -74.928006
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -240.328945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.328945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.328945 (E_RNA)
where:
Base-Base interactions energy: -162.526
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.588
local terms energy: -77.215017
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -20.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -231.607583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.607583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.607583 (E_RNA)
where:
Base-Base interactions energy: -159.232
where: short stacking energy: -67.193
Base-Backbone interact. energy: -0.206
local terms energy: -72.169803
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -233.718190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.718190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.718190 (E_RNA)
where:
Base-Base interactions energy: -158.911
where: short stacking energy: -76.287
Base-Backbone interact. energy: -0.004
local terms energy: -74.803157
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -17.990
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: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -222.240982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.240982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.240982 (E_RNA)
where:
Base-Base interactions energy: -155.765
where: short stacking energy: -73.959
Base-Backbone interact. energy: -0.197
local terms energy: -66.279218
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -223.009336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.009336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.009336 (E_RNA)
where:
Base-Base interactions energy: -155.817
where: short stacking energy: -76.286
Base-Backbone interact. energy: -0.124
local terms energy: -67.068321
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -201.295233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.295233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.295233 (E_RNA)
where:
Base-Base interactions energy: -140.210
where: short stacking energy: -56.072
Base-Backbone interact. energy: -0.706
local terms energy: -60.379185
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -10.360
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: 10, replica: 2
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -75.175774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.175774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.175774 (E_RNA)
where:
Base-Base interactions energy: -31.634
where: short stacking energy: -31.446
Base-Backbone interact. energy: -0.078
local terms energy: -43.463837
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -1.150
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -235.398776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.398776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.398776 (E_RNA)
where:
Base-Base interactions energy: -170.049
where: short stacking energy: -68.638
Base-Backbone interact. energy: -0.405
local terms energy: -64.944987
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -243.227928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.227928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.227928 (E_RNA)
where:
Base-Base interactions energy: -162.367
where: short stacking energy: -77.905
Base-Backbone interact. energy: -0.181
local terms energy: -80.680078
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -22.210
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: 495
Temperature: 1.000000
Total energy: -237.615010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.615010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.615010 (E_RNA)
where:
Base-Base interactions energy: -160.623
where: short stacking energy: -72.801
Base-Backbone interact. energy: -1.831
local terms energy: -75.161090
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -239.616345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.616345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.616345 (E_RNA)
where:
Base-Base interactions energy: -167.454
where: short stacking energy: -75.056
Base-Backbone interact. energy: -0.398
local terms energy: -71.763562
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -230.258437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.258437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.258437 (E_RNA)
where:
Base-Base interactions energy: -165.189
where: short stacking energy: -71.721
Base-Backbone interact. energy: 0.026
local terms energy: -65.094815
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -226.458118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.458118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.458118 (E_RNA)
where:
Base-Base interactions energy: -155.264
where: short stacking energy: -73.252
Base-Backbone interact. energy: -0.009
local terms energy: -71.184607
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -19.031
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: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -225.971290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.971290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.971290 (E_RNA)
where:
Base-Base interactions energy: -150.473
where: short stacking energy: -68.922
Base-Backbone interact. energy: -0.400
local terms energy: -75.098288
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -18.577
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: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -211.931473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.931473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.931473 (E_RNA)
where:
Base-Base interactions energy: -148.700
where: short stacking energy: -68.729
Base-Backbone interact. energy: -0.579
local terms energy: -62.652886
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -207.059215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.059215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.059215 (E_RNA)
where:
Base-Base interactions energy: -141.851
where: short stacking energy: -60.601
Base-Backbone interact. energy: -1.297
local terms energy: -63.910966
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -14.015
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: 2
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -74.692035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.692035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.692035 (E_RNA)
where:
Base-Base interactions energy: -35.721
where: short stacking energy: -7.407
Base-Backbone interact. energy: -0.747
local terms energy: -38.224104
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: 4.850
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: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -242.045302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.045302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.045302 (E_RNA)
where:
Base-Base interactions energy: -171.318
where: short stacking energy: -73.958
Base-Backbone interact. energy: -0.002
local terms energy: -70.725647
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -239.737190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.737190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.737190 (E_RNA)
where:
Base-Base interactions energy: -162.667
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.001
local terms energy: -77.069001
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -235.734822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.734822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.734822 (E_RNA)
where:
Base-Base interactions energy: -166.946
where: short stacking energy: -74.691
Base-Backbone interact. energy: 0.125
local terms energy: -68.914408
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -17.000
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: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -222.386380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.386380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.386380 (E_RNA)
where:
Base-Base interactions energy: -159.723
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.641
local terms energy: -62.022588
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -227.937908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.937908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.937908 (E_RNA)
where:
Base-Base interactions energy: -161.976
where: short stacking energy: -77.591
Base-Backbone interact. energy: -0.001
local terms energy: -65.961710
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -10.853
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: 6, replica: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -219.983949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.983949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.983949 (E_RNA)
where:
Base-Base interactions energy: -155.307
where: short stacking energy: -68.494
Base-Backbone interact. energy: -0.167
local terms energy: -64.510227
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -7.848
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: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -224.140527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.140527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.140527 (E_RNA)
where:
Base-Base interactions energy: -158.335
where: short stacking energy: -67.494
Base-Backbone interact. energy: -0.156
local terms energy: -65.649484
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -18.138
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: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -212.342749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.342749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.342749 (E_RNA)
where:
Base-Base interactions energy: -144.194
where: short stacking energy: -60.879
Base-Backbone interact. energy: -0.074
local terms energy: -68.074428
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -8.577
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: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -209.903671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.903671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.903671 (E_RNA)
where:
Base-Base interactions energy: -143.509
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.779
local terms energy: -65.615667
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -9.852
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: 10, replica: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -82.728407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.728407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.728407 (E_RNA)
where:
Base-Base interactions energy: -36.377
where: short stacking energy: -35.858
Base-Backbone interact. energy: -0.078
local terms energy: -46.272714
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -8.105
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -245.594465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.594465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.594465 (E_RNA)
where:
Base-Base interactions energy: -172.311
where: short stacking energy: -77.933
Base-Backbone interact. energy: -0.593
local terms energy: -72.690922
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -247.337720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.337720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.337720 (E_RNA)
where:
Base-Base interactions energy: -174.294
where: short stacking energy: -65.971
Base-Backbone interact. energy: -0.003
local terms energy: -73.041514
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -241.365220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.365220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.365220 (E_RNA)
where:
Base-Base interactions energy: -165.646
where: short stacking energy: -70.869
Base-Backbone interact. energy: -0.798
local terms energy: -74.920844
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -243.658206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.658206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.658206 (E_RNA)
where:
Base-Base interactions energy: -167.681
where: short stacking energy: -77.363
Base-Backbone interact. energy: -1.366
local terms energy: -74.612122
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -235.802414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.802414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.802414 (E_RNA)
where:
Base-Base interactions energy: -162.818
where: short stacking energy: -78.197
Base-Backbone interact. energy: -0.018
local terms energy: -72.966467
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -228.450344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.450344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.450344 (E_RNA)
where:
Base-Base interactions energy: -155.624
where: short stacking energy: -66.769
Base-Backbone interact. energy: -0.002
local terms energy: -72.824336
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -211.757939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.757939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.757939 (E_RNA)
where:
Base-Base interactions energy: -152.157
where: short stacking energy: -67.702
Base-Backbone interact. energy: -0.002
local terms energy: -59.599082
where:
bonds (distance) C4'-P energy: -7.159
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -208.205237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.205237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.205237 (E_RNA)
where:
Base-Base interactions energy: -146.680
where: short stacking energy: -65.451
Base-Backbone interact. energy: -0.006
local terms energy: -61.519232
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.772
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: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -208.259461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.259461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.259461 (E_RNA)
where:
Base-Base interactions energy: -140.657
where: short stacking energy: -61.295
Base-Backbone interact. energy: -0.064
local terms energy: -67.538046
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -67.833174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.833174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.833174 (E_RNA)
where:
Base-Base interactions energy: -22.502
where: short stacking energy: -21.070
Base-Backbone interact. energy: -0.574
local terms energy: -44.757455
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: 3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -236.504366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.504366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.504366 (E_RNA)
where:
Base-Base interactions energy: -158.409
where: short stacking energy: -61.613
Base-Backbone interact. energy: -0.151
local terms energy: -77.944434
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -244.875510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.875510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.875510 (E_RNA)
where:
Base-Base interactions energy: -180.267
where: short stacking energy: -65.692
Base-Backbone interact. energy: -0.332
local terms energy: -64.276398
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -15.817
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: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -231.775687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.775687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.775687 (E_RNA)
where:
Base-Base interactions energy: -169.798
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.009
local terms energy: -61.968024
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -11.175
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: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -234.483612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.483612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.483612 (E_RNA)
where:
Base-Base interactions energy: -156.225
where: short stacking energy: -67.502
Base-Backbone interact. energy: -0.033
local terms energy: -78.224922
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -231.679958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.679958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.679958 (E_RNA)
where:
Base-Base interactions energy: -163.534
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.887
local terms energy: -67.259195
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -219.197354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.197354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.197354 (E_RNA)
where:
Base-Base interactions energy: -148.579
where: short stacking energy: -69.363
Base-Backbone interact. energy: -0.024
local terms energy: -70.594330
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -215.688370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.688370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.688370 (E_RNA)
where:
Base-Base interactions energy: -150.413
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.354
local terms energy: -64.921321
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -11.471
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: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -218.182057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.182057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.182057 (E_RNA)
where:
Base-Base interactions energy: -149.285
where: short stacking energy: -62.966
Base-Backbone interact. energy: -0.050
local terms energy: -68.846124
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -13.363
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: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -204.351691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.351691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.351691 (E_RNA)
where:
Base-Base interactions energy: -145.851
where: short stacking energy: -57.542
Base-Backbone interact. energy: -0.670
local terms energy: -57.830749
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -106.354430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.354430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.354430 (E_RNA)
where:
Base-Base interactions energy: -55.875
where: short stacking energy: -26.244
Base-Backbone interact. energy: 0.249
local terms energy: -50.728490
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -1.522
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: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -245.822799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.822799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.822799 (E_RNA)
where:
Base-Base interactions energy: -176.514
where: short stacking energy: -78.722
Base-Backbone interact. energy: -0.126
local terms energy: -69.182618
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -238.043181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.043181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.043181 (E_RNA)
where:
Base-Base interactions energy: -166.841
where: short stacking energy: -76.372
Base-Backbone interact. energy: 0.278
local terms energy: -71.480714
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -19.760
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: 499
Temperature: 1.000000
Total energy: -243.990169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.990169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.990169 (E_RNA)
where:
Base-Base interactions energy: -165.313
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.166
local terms energy: -78.511368
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -238.415959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.415959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.415959 (E_RNA)
where:
Base-Base interactions energy: -162.219
where: short stacking energy: -73.195
Base-Backbone interact. energy: -0.046
local terms energy: -76.150881
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -233.256762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.256762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.256762 (E_RNA)
where:
Base-Base interactions energy: -163.635
where: short stacking energy: -66.702
Base-Backbone interact. energy: -0.486
local terms energy: -69.135850
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -231.872790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.872790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.872790 (E_RNA)
where:
Base-Base interactions energy: -168.744
where: short stacking energy: -71.725
Base-Backbone interact. energy: 0.409
local terms energy: -63.538093
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -16.870
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: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -216.835980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.835980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.835980 (E_RNA)
where:
Base-Base interactions energy: -159.914
where: short stacking energy: -64.550
Base-Backbone interact. energy: -0.816
local terms energy: -56.105967
where:
bonds (distance) C4'-P energy: -7.612
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -7.969
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: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -214.477023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.477023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.477023 (E_RNA)
where:
Base-Base interactions energy: -153.786
where: short stacking energy: -63.511
Base-Backbone interact. energy: -0.548
local terms energy: -60.143172
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -209.569961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.569961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.569961 (E_RNA)
where:
Base-Base interactions energy: -152.956
where: short stacking energy: -69.058
Base-Backbone interact. energy: -0.283
local terms energy: -56.330779
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -12.545
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: 10, replica: 2
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -160.615987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.615987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.615987 (E_RNA)
where:
Base-Base interactions energy: -108.535
where: short stacking energy: -43.639
Base-Backbone interact. energy: -0.522
local terms energy: -51.559055
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -1.838
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -247.992738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.992738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.992738 (E_RNA)
where:
Base-Base interactions energy: -171.669
where: short stacking energy: -72.586
Base-Backbone interact. energy: -2.331
local terms energy: -73.992819
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -20.720
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: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -243.011095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.011095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.011095 (E_RNA)
where:
Base-Base interactions energy: -164.110
where: short stacking energy: -68.349
Base-Backbone interact. energy: -0.674
local terms energy: -78.227433
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -240.738879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.738879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.738879 (E_RNA)
where:
Base-Base interactions energy: -164.086
where: short stacking energy: -76.484
Base-Backbone interact. energy: -0.000
local terms energy: -76.652785
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -20.765
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: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -245.286723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.286723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.286723 (E_RNA)
where:
Base-Base interactions energy: -167.695
where: short stacking energy: -76.396
Base-Backbone interact. energy: -0.012
local terms energy: -77.580028
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -20.528
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: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -225.233950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.233950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.233950 (E_RNA)
where:
Base-Base interactions energy: -153.999
where: short stacking energy: -67.037
Base-Backbone interact. energy: -0.083
local terms energy: -71.151564
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -228.918486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.918486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.918486 (E_RNA)
where:
Base-Base interactions energy: -157.593
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.000
local terms energy: -71.325343
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -223.024633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.024633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.024633 (E_RNA)
where:
Base-Base interactions energy: -163.138
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.098
local terms energy: -59.788814
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -213.353365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.353365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.353365 (E_RNA)
where:
Base-Base interactions energy: -146.217
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.548
local terms energy: -66.588250
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -188.679990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.679990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.679990 (E_RNA)
where:
Base-Base interactions energy: -132.916
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.134
local terms energy: -55.630229
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.065
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: 10, replica: 2
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -145.357064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.357064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.357064 (E_RNA)
where:
Base-Base interactions energy: -92.292
where: short stacking energy: -36.984
Base-Backbone interact. energy: -0.017
local terms energy: -53.048476
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -249.908667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.908667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.908667 (E_RNA)
where:
Base-Base interactions energy: -171.534
where: short stacking energy: -77.867
Base-Backbone interact. energy: -0.438
local terms energy: -77.936289
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -236.084002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.084002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.084002 (E_RNA)
where:
Base-Base interactions energy: -163.923
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.061
local terms energy: -72.100070
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -20.169
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: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -243.134935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.134935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.134935 (E_RNA)
where:
Base-Base interactions energy: -164.540
where: short stacking energy: -77.911
Base-Backbone interact. energy: -0.211
local terms energy: -78.383997
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -23.482
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: 501
Temperature: 1.050000
Total energy: -232.809366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.809366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.809366 (E_RNA)
where:
Base-Base interactions energy: -160.626
where: short stacking energy: -68.433
Base-Backbone interact. energy: -0.196
local terms energy: -71.986882
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -229.509396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.509396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.509396 (E_RNA)
where:
Base-Base interactions energy: -166.035
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.318
local terms energy: -63.155724
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.779
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: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -220.425040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.425040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425040 (E_RNA)
where:
Base-Base interactions energy: -147.064
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.579
local terms energy: -72.782090
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -12.082
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: 7, replica: 1
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -219.097299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.097299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.097299 (E_RNA)
where:
Base-Base interactions energy: -160.429
where: short stacking energy: -65.890
Base-Backbone interact. energy: -0.169
local terms energy: -58.499990
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -0.722
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: 8, replica: 7
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -209.341155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.341155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.341155 (E_RNA)
where:
Base-Base interactions energy: -147.109
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.293
local terms energy: -61.939621
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -211.841037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.841037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.841037 (E_RNA)
where:
Base-Base interactions energy: -152.735
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.030
local terms energy: -59.076124
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -0.356
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: 10, replica: 2
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -124.004990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.004990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.004990 (E_RNA)
where:
Base-Base interactions energy: -79.679
where: short stacking energy: -39.453
Base-Backbone interact. energy: -0.109
local terms energy: -44.216943
where:
bonds (distance) C4'-P energy: -8.644
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 13666102
moves confirmed later: 15833476
all moves confirmed: 29499578
percent of confirmed moves: 3.687447
current total energy: -226.428170
recalc. total energy: -226.428170
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 11931916
moves confirmed later: 13504940
all moves confirmed: 25436856
percent of confirmed moves: 3.179607
current total energy: -203.770417
recalc. total energy: -203.770417
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 10820900
moves confirmed later: 12071523
all moves confirmed: 22892423
percent of confirmed moves: 2.861553
current total energy: -226.007925
recalc. total energy: -226.007925
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 12703941
moves confirmed later: 14530461
all moves confirmed: 27234402
percent of confirmed moves: 3.404300
current total energy: -203.037182
recalc. total energy: -203.037182
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 10150250
moves confirmed later: 11104830
all moves confirmed: 21255080
percent of confirmed moves: 2.656885
current total energy: -175.861246
recalc. total energy: -175.861246
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 10536004
moves confirmed later: 11683582
all moves confirmed: 22219586
percent of confirmed moves: 2.777448
current total energy: -181.121674
recalc. total energy: -181.121674
replica 7 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 11314440
moves confirmed later: 12711914
all moves confirmed: 24026354
percent of confirmed moves: 3.003294
current total energy: -197.306413
recalc. total energy: -197.306413
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 10123927
moves confirmed later: 11049555
all moves confirmed: 21173482
percent of confirmed moves: 2.646685
current total energy: -158.419675
recalc. total energy: -158.419675
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 17919134
moves confirmed later: 21512459
all moves confirmed: 39431593
percent of confirmed moves: 4.928949
current total energy: -164.751257
recalc. total energy: -164.751257
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 17288716
moves confirmed later: 20679498
all moves confirmed: 37968214
percent of confirmed moves: 4.746027
current total energy: -18.413090
recalc. total energy: -18.413090
out arg RESULTS//1/bvh-6064fac2_01
Time of doing 8000000 iterations: 2029.268 seconds