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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-6c675128/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6c675128/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -138.865040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.865040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.865040 (E_RNA)
where:
Base-Base interactions energy: -66.487
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.003
local terms energy: -72.375736
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -128.923886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.923886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.923886 (E_RNA)
where:
Base-Base interactions energy: -63.775
where: short stacking energy: -46.452
Base-Backbone interact. energy: -0.191
local terms energy: -64.957925
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -116.934024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.934024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.934024 (E_RNA)
where:
Base-Base interactions energy: -60.511
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.679
local terms energy: -55.743749
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -4.078
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -122.134121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.134121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.134121 (E_RNA)
where:
Base-Base interactions energy: -51.349
where: short stacking energy: -51.349
Base-Backbone interact. energy: -0.175
local terms energy: -70.609635
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -122.726585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.726585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.726585 (E_RNA)
where:
Base-Base interactions energy: -65.638
where: short stacking energy: -42.579
Base-Backbone interact. energy: -0.134
local terms energy: -56.953903
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -94.162013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.162013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.162013 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -33.452
Base-Backbone interact. energy: -0.037
local terms energy: -50.365539
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -4.923
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -110.404563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.404563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.404563 (E_RNA)
where:
Base-Base interactions energy: -57.653
where: short stacking energy: -34.867
Base-Backbone interact. energy: 0.058
local terms energy: -52.809781
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.652177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652177 (E_RNA)
where:
Base-Base interactions energy: -34.620
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.207
local terms energy: -60.825053
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -78.490356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.490356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.490356 (E_RNA)
where:
Base-Base interactions energy: -16.418
where: short stacking energy: -16.219
Base-Backbone interact. energy: -1.152
local terms energy: -60.920896
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -5.132
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -77.824651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.824651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.824651 (E_RNA)
where:
Base-Base interactions energy: -0.757
where: short stacking energy: -0.757
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -133.569375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.569375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.569375 (E_RNA)
where:
Base-Base interactions energy: -65.010
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.065
local terms energy: -68.494895
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -138.020610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.020610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.020610 (E_RNA)
where:
Base-Base interactions energy: -63.518
where: short stacking energy: -54.093
Base-Backbone interact. energy: -0.496
local terms energy: -74.007151
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -128.800647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.800647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.800647 (E_RNA)
where:
Base-Base interactions energy: -66.308
where: short stacking energy: -47.573
Base-Backbone interact. energy: -0.182
local terms energy: -62.310978
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -137.753367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.753367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.753367 (E_RNA)
where:
Base-Base interactions energy: -76.048
where: short stacking energy: -45.999
Base-Backbone interact. energy: -0.145
local terms energy: -61.560230
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -108.230688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.230688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.230688 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -38.458
Base-Backbone interact. energy: -0.082
local terms energy: -69.691040
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -106.288448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.288448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.288448 (E_RNA)
where:
Base-Base interactions energy: -62.744
where: short stacking energy: -27.002
Base-Backbone interact. energy: -1.251
local terms energy: -42.293068
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -5.340
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: 0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -95.574840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.574840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.574840 (E_RNA)
where:
Base-Base interactions energy: -48.072
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.430
local terms energy: -47.072681
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -6.564
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -88.197409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197409 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -24.421
Base-Backbone interact. energy: -0.145
local terms energy: -46.495107
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -2.790
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -77.319642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.319642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.319642 (E_RNA)
where:
Base-Base interactions energy: -38.969
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.626
local terms energy: -37.723852
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -0.277
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -74.585740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.585740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.585740 (E_RNA)
where:
Base-Base interactions energy: -24.134
where: short stacking energy: -21.872
Base-Backbone interact. energy: -0.085
local terms energy: -50.367481
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -122.157074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.157074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.157074 (E_RNA)
where:
Base-Base interactions energy: -53.270
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.090
local terms energy: -68.796857
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -132.231274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.231274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.231274 (E_RNA)
where:
Base-Base interactions energy: -57.990
where: short stacking energy: -53.158
Base-Backbone interact. energy: -0.107
local terms energy: -74.134056
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -144.752048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.752048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.752048 (E_RNA)
where:
Base-Base interactions energy: -84.086
where: short stacking energy: -47.919
Base-Backbone interact. energy: -0.653
local terms energy: -60.012666
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -110.875739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.875739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.875739 (E_RNA)
where:
Base-Base interactions energy: -55.596
where: short stacking energy: -47.200
Base-Backbone interact. energy: -0.176
local terms energy: -55.103630
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -117.195151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.195151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.195151 (E_RNA)
where:
Base-Base interactions energy: -60.187
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.038
local terms energy: -56.969408
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -91.125445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.125445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.125445 (E_RNA)
where:
Base-Base interactions energy: -41.091
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.187
local terms energy: -49.846704
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -2.124
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -92.255816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.255816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.255816 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -34.478
Base-Backbone interact. energy: 0.171
local terms energy: -57.208819
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -79.913545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.913545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.913545 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -22.435
Base-Backbone interact. energy: 2.383
local terms energy: -47.519040
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -92.064964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064964 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -29.124
Base-Backbone interact. energy: 0.243
local terms energy: -56.467733
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -11.505
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -82.825471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.825471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.825471 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -33.291
Base-Backbone interact. energy: 0.227
local terms energy: -49.398803
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -142.155395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.155395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.155395 (E_RNA)
where:
Base-Base interactions energy: -71.763
where: short stacking energy: -60.642
Base-Backbone interact. energy: -0.008
local terms energy: -70.384809
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -161.385477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.385477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.385477 (E_RNA)
where:
Base-Base interactions energy: -97.334
where: short stacking energy: -44.710
Base-Backbone interact. energy: -0.824
local terms energy: -63.227894
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -10.069
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: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -127.523308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.523308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.523308 (E_RNA)
where:
Base-Base interactions energy: -64.962
where: short stacking energy: -48.131
Base-Backbone interact. energy: -1.127
local terms energy: -61.434365
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -9.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -159.620774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.620774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.620774 (E_RNA)
where:
Base-Base interactions energy: -88.464
where: short stacking energy: -47.923
Base-Backbone interact. energy: 0.607
local terms energy: -71.763240
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -13.882
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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -119.689370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.689370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.689370 (E_RNA)
where:
Base-Base interactions energy: -73.471
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.257
local terms energy: -45.961374
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -7.210
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -4.040
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -96.591207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.591207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.591207 (E_RNA)
where:
Base-Base interactions energy: -38.721
where: short stacking energy: -38.721
Base-Backbone interact. energy: 0.150
local terms energy: -58.020453
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -89.249973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249973 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -35.821
Base-Backbone interact. energy: -0.130
local terms energy: -48.112295
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: 0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -88.494417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.494417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.494417 (E_RNA)
where:
Base-Base interactions energy: -43.546
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.074
local terms energy: -44.873968
where:
bonds (distance) C4'-P energy: -7.483
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -6.631
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -93.909425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.909425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.909425 (E_RNA)
where:
Base-Base interactions energy: -52.827
where: short stacking energy: -25.567
Base-Backbone interact. energy: -0.260
local terms energy: -40.822240
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -2.632
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: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -99.075048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.075048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.075048 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.199
local terms energy: -47.254261
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -164.038255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.038255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.038255 (E_RNA)
where:
Base-Base interactions energy: -95.690
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.251
local terms energy: -68.097087
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -10.655
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -150.706883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.706883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.706883 (E_RNA)
where:
Base-Base interactions energy: -92.730
where: short stacking energy: -44.128
Base-Backbone interact. energy: -1.008
local terms energy: -56.968378
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -162.323835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.323835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.323835 (E_RNA)
where:
Base-Base interactions energy: -100.079
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.066
local terms energy: -62.178744
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -120.572316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.572316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.572316 (E_RNA)
where:
Base-Base interactions energy: -63.069
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.687
local terms energy: -56.815620
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -13.939
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: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -135.241201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.241201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.241201 (E_RNA)
where:
Base-Base interactions energy: -72.270
where: short stacking energy: -28.363
Base-Backbone interact. energy: -0.208
local terms energy: -62.763172
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -4.008
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: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -103.445598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.445598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.445598 (E_RNA)
where:
Base-Base interactions energy: -55.527
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.182
local terms energy: -47.736920
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -1.454
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -111.833640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.833640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.833640 (E_RNA)
where:
Base-Base interactions energy: -55.234
where: short stacking energy: -35.266
Base-Backbone interact. energy: -0.686
local terms energy: -55.913306
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -85.162027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.162027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.162027 (E_RNA)
where:
Base-Base interactions energy: -34.726
where: short stacking energy: -27.649
Base-Backbone interact. energy: -0.151
local terms energy: -50.284270
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -4.927
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -74.916033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.916033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.916033 (E_RNA)
where:
Base-Base interactions energy: -23.165
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.328
local terms energy: -51.423026
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -10.065
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: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -81.181915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.181915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.181915 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.030
local terms energy: -51.757292
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -172.037705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.037705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.037705 (E_RNA)
where:
Base-Base interactions energy: -107.177
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.748
local terms energy: -64.112192
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -179.078543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.078543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.078543 (E_RNA)
where:
Base-Base interactions energy: -102.110
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.070
local terms energy: -76.898321
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -145.672102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.672102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.672102 (E_RNA)
where:
Base-Base interactions energy: -77.391
where: short stacking energy: -54.795
Base-Backbone interact. energy: -0.147
local terms energy: -68.134175
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -135.519151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.519151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.519151 (E_RNA)
where:
Base-Base interactions energy: -85.043
where: short stacking energy: -40.009
Base-Backbone interact. energy: 0.110
local terms energy: -50.585338
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -107.552879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.552879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.552879 (E_RNA)
where:
Base-Base interactions energy: -49.399
where: short stacking energy: -30.751
Base-Backbone interact. energy: -0.450
local terms energy: -57.704160
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -4.182
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: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -128.571740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.571740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.571740 (E_RNA)
where:
Base-Base interactions energy: -74.021
where: short stacking energy: -45.757
Base-Backbone interact. energy: 0.290
local terms energy: -54.841105
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -108.620706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.620706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.620706 (E_RNA)
where:
Base-Base interactions energy: -51.214
where: short stacking energy: -31.805
Base-Backbone interact. energy: -0.636
local terms energy: -56.770912
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -81.988066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.988066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.988066 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -22.849
Base-Backbone interact. energy: -0.259
local terms energy: -46.520220
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -0.327
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: 7
Temperature: 1.300000
Total energy: -78.084120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.084120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.084120 (E_RNA)
where:
Base-Base interactions energy: -35.834
where: short stacking energy: -22.926
Base-Backbone interact. energy: 0.210
local terms energy: -42.459870
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: 6.145
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: 7
Temperature: 1.350000
Total energy: -89.074242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.074242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.074242 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -28.574
Base-Backbone interact. energy: 3.615
local terms energy: -59.051212
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -6.769
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: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -206.271265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.271265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.271265 (E_RNA)
where:
Base-Base interactions energy: -130.155
where: short stacking energy: -66.333
Base-Backbone interact. energy: -0.007
local terms energy: -76.108879
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -185.093901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.093901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.093901 (E_RNA)
where:
Base-Base interactions energy: -124.566
where: short stacking energy: -52.703
Base-Backbone interact. energy: 0.900
local terms energy: -61.428092
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -16.063
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: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -171.751014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.751014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.751014 (E_RNA)
where:
Base-Base interactions energy: -105.385
where: short stacking energy: -50.811
Base-Backbone interact. energy: -0.513
local terms energy: -65.853349
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -109.534372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.534372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.534372 (E_RNA)
where:
Base-Base interactions energy: -41.892
where: short stacking energy: -41.892
Base-Backbone interact. energy: -0.148
local terms energy: -67.493693
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -174.187292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.187292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.187292 (E_RNA)
where:
Base-Base interactions energy: -118.150
where: short stacking energy: -52.434
Base-Backbone interact. energy: 0.810
local terms energy: -56.846856
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -9.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -101.539067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.539067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.539067 (E_RNA)
where:
Base-Base interactions energy: -42.708
where: short stacking energy: -41.844
Base-Backbone interact. energy: -0.078
local terms energy: -58.753484
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.371
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: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -109.387148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.387148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.387148 (E_RNA)
where:
Base-Base interactions energy: -52.430
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.771
local terms energy: -56.186419
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -1.419
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: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -93.079159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.079159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.079159 (E_RNA)
where:
Base-Base interactions energy: -37.530
where: short stacking energy: -37.530
Base-Backbone interact. energy: -0.190
local terms energy: -55.359041
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -6.852
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -79.784608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.784608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.784608 (E_RNA)
where:
Base-Base interactions energy: -21.725
where: short stacking energy: -20.392
Base-Backbone interact. energy: -0.370
local terms energy: -57.689203
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -5.253
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: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -79.519230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.519230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.519230 (E_RNA)
where:
Base-Base interactions energy: -29.600
where: short stacking energy: -26.976
Base-Backbone interact. energy: -0.192
local terms energy: -49.727245
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -209.931352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.931352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.931352 (E_RNA)
where:
Base-Base interactions energy: -134.070
where: short stacking energy: -71.371
Base-Backbone interact. energy: -0.000
local terms energy: -75.860600
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -186.099623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.099623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.099623 (E_RNA)
where:
Base-Base interactions energy: -115.587
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.136
local terms energy: -70.376527
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -174.919646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.919646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.919646 (E_RNA)
where:
Base-Base interactions energy: -118.618
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.347
local terms energy: -55.954863
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -3.130
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: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -181.461869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.461869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.461869 (E_RNA)
where:
Base-Base interactions energy: -121.231
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.490
local terms energy: -59.740724
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: -11.075
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: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -109.168331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.168331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.168331 (E_RNA)
where:
Base-Base interactions energy: -47.911
where: short stacking energy: -47.911
Base-Backbone interact. energy: -0.052
local terms energy: -61.205520
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -97.656305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.656305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.656305 (E_RNA)
where:
Base-Base interactions energy: -37.349
where: short stacking energy: -36.932
Base-Backbone interact. energy: -0.056
local terms energy: -60.251006
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -102.698500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.698500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.698500 (E_RNA)
where:
Base-Base interactions energy: -54.183
where: short stacking energy: -36.630
Base-Backbone interact. energy: -0.455
local terms energy: -48.059862
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -4.448
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: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -84.575482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.575482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.575482 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.682
local terms energy: -47.333091
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -9.520
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: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -87.703018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.703018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.703018 (E_RNA)
where:
Base-Base interactions energy: -33.540
where: short stacking energy: -32.879
Base-Backbone interact. energy: -0.205
local terms energy: -53.958840
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -4.459
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: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -68.923683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.923683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.923683 (E_RNA)
where:
Base-Base interactions energy: -27.568
where: short stacking energy: -27.568
Base-Backbone interact. energy: -0.130
local terms energy: -41.225970
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -208.347077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.347077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.347077 (E_RNA)
where:
Base-Base interactions energy: -129.866
where: short stacking energy: -69.735
Base-Backbone interact. energy: -0.004
local terms energy: -78.476365
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -186.774795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.774795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.774795 (E_RNA)
where:
Base-Base interactions energy: -110.343
where: short stacking energy: -62.096
Base-Backbone interact. energy: 0.720
local terms energy: -77.151729
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -183.679040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.679040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.679040 (E_RNA)
where:
Base-Base interactions energy: -118.025
where: short stacking energy: -53.174
Base-Backbone interact. energy: -0.039
local terms energy: -65.614644
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -178.520217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.520217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.520217 (E_RNA)
where:
Base-Base interactions energy: -114.489
where: short stacking energy: -51.324
Base-Backbone interact. energy: -0.109
local terms energy: -63.922289
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -104.264878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.264878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.264878 (E_RNA)
where:
Base-Base interactions energy: -44.135
where: short stacking energy: -44.135
Base-Backbone interact. energy: 0.398
local terms energy: -60.527680
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -8.464
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: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -91.978770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978770 (E_RNA)
where:
Base-Base interactions energy: -38.523
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.390
local terms energy: -53.066136
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -98.983071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.983071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.983071 (E_RNA)
where:
Base-Base interactions energy: -46.328
where: short stacking energy: -31.068
Base-Backbone interact. energy: -0.174
local terms energy: -52.480964
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -7.114
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: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -92.989967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.989967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.989967 (E_RNA)
where:
Base-Base interactions energy: -36.373
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.208
local terms energy: -56.408450
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -82.717078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.717078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.717078 (E_RNA)
where:
Base-Base interactions energy: -32.547
where: short stacking energy: -25.388
Base-Backbone interact. energy: 3.823
local terms energy: -53.993619
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -2.898
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: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -74.943916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.943916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.943916 (E_RNA)
where:
Base-Base interactions energy: -32.676
where: short stacking energy: -24.270
Base-Backbone interact. energy: -0.069
local terms energy: -42.199077
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -5.439
flat angles P-C4'-P energy: -7.858
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: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -207.133502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.133502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.133502 (E_RNA)
where:
Base-Base interactions energy: -144.487
where: short stacking energy: -60.641
Base-Backbone interact. energy: 0.193
local terms energy: -62.839581
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -5.315
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: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -198.064892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.064892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.064892 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -69.177
Base-Backbone interact. energy: -0.161
local terms energy: -70.818961
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -181.162021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.162021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.162021 (E_RNA)
where:
Base-Base interactions energy: -116.338
where: short stacking energy: -45.137
Base-Backbone interact. energy: -0.069
local terms energy: -64.754616
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -195.495169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.495169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.495169 (E_RNA)
where:
Base-Base interactions energy: -130.772
where: short stacking energy: -63.873
Base-Backbone interact. energy: -0.012
local terms energy: -64.711501
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -95.460464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.460464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.460464 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -39.224
Base-Backbone interact. energy: -0.325
local terms energy: -53.011575
where:
bonds (distance) C4'-P energy: -7.708
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -104.007406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.007406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.007406 (E_RNA)
where:
Base-Base interactions energy: -43.897
where: short stacking energy: -43.114
Base-Backbone interact. energy: -0.374
local terms energy: -59.735816
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -94.477360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.477360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.477360 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -32.915
Base-Backbone interact. energy: 0.029
local terms energy: -61.591447
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -8.878
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: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -88.787434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.787434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.787434 (E_RNA)
where:
Base-Base interactions energy: -33.753
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.437
local terms energy: -54.598193
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -80.570396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570396 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -26.627
Base-Backbone interact. energy: 1.212
local terms energy: -46.138029
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: 1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -79.012636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.012636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.012636 (E_RNA)
where:
Base-Base interactions energy: -31.670
where: short stacking energy: -30.975
Base-Backbone interact. energy: 1.227
local terms energy: -48.570056
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -194.800922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.800922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.800922 (E_RNA)
where:
Base-Base interactions energy: -125.905
where: short stacking energy: -56.029
Base-Backbone interact. energy: -0.063
local terms energy: -68.832762
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -208.785544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.785544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.785544 (E_RNA)
where:
Base-Base interactions energy: -139.298
where: short stacking energy: -65.478
Base-Backbone interact. energy: -0.093
local terms energy: -69.394736
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -9.044
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: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -198.164422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.164422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.164422 (E_RNA)
where:
Base-Base interactions energy: -129.520
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.215
local terms energy: -68.429373
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -7.174
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: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -181.185561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.185561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.185561 (E_RNA)
where:
Base-Base interactions energy: -112.454
where: short stacking energy: -49.093
Base-Backbone interact. energy: -0.132
local terms energy: -68.599786
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -146.472640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.472640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.472640 (E_RNA)
where:
Base-Base interactions energy: -91.732
where: short stacking energy: -33.022
Base-Backbone interact. energy: 0.385
local terms energy: -55.125643
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -108.407852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.407852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.407852 (E_RNA)
where:
Base-Base interactions energy: -47.844
where: short stacking energy: -47.844
Base-Backbone interact. energy: -0.089
local terms energy: -60.474620
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -8.804
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -13.599
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: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -86.537734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.537734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.537734 (E_RNA)
where:
Base-Base interactions energy: -32.887
where: short stacking energy: -19.007
Base-Backbone interact. energy: -0.170
local terms energy: -53.481576
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -82.487623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.487623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.487623 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -31.880
Base-Backbone interact. energy: -0.141
local terms energy: -50.467059
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -5.111
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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -91.088717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.088717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.088717 (E_RNA)
where:
Base-Base interactions energy: -46.056
where: short stacking energy: -28.021
Base-Backbone interact. energy: 0.484
local terms energy: -45.516419
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -72.072470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.072470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.072470 (E_RNA)
where:
Base-Base interactions energy: -23.728
where: short stacking energy: -23.342
Base-Backbone interact. energy: 0.138
local terms energy: -48.482267
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -188.822879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.822879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.822879 (E_RNA)
where:
Base-Base interactions energy: -118.791
where: short stacking energy: -52.668
Base-Backbone interact. energy: 1.594
local terms energy: -71.626072
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -195.856278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.856278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.856278 (E_RNA)
where:
Base-Base interactions energy: -132.186
where: short stacking energy: -59.989
Base-Backbone interact. energy: -0.028
local terms energy: -63.642411
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -197.667568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.667568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.667568 (E_RNA)
where:
Base-Base interactions energy: -132.462
where: short stacking energy: -64.675
Base-Backbone interact. energy: 0.682
local terms energy: -65.887448
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -189.962427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.962427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.962427 (E_RNA)
where:
Base-Base interactions energy: -124.426
where: short stacking energy: -61.523
Base-Backbone interact. energy: -0.684
local terms energy: -64.851625
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -12.223
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: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -184.084748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.084748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.084748 (E_RNA)
where:
Base-Base interactions energy: -124.959
where: short stacking energy: -59.747
Base-Backbone interact. energy: -0.773
local terms energy: -58.352701
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -7.957
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -11.837
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -99.172185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.172185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.172185 (E_RNA)
where:
Base-Base interactions energy: -40.666
where: short stacking energy: -39.396
Base-Backbone interact. energy: 1.165
local terms energy: -59.671048
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -6.091
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: 7, replica: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -101.303898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.303898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.303898 (E_RNA)
where:
Base-Base interactions energy: -42.065
where: short stacking energy: -39.609
Base-Backbone interact. energy: -0.110
local terms energy: -59.128055
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -7.114
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: 13
Temperature: 1.250000
Total energy: -97.315580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.315580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.315580 (E_RNA)
where:
Base-Base interactions energy: -47.695
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.606
local terms energy: -49.014559
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -4.096
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: 9, replica: 1
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -81.834817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.834817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.834817 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -36.275
Base-Backbone interact. energy: -0.087
local terms energy: -44.224254
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -76.089809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.089809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.089809 (E_RNA)
where:
Base-Base interactions energy: -26.320
where: short stacking energy: -26.320
Base-Backbone interact. energy: -0.042
local terms energy: -49.728316
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -203.361833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.361833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.361833 (E_RNA)
where:
Base-Base interactions energy: -131.390
where: short stacking energy: -54.897
Base-Backbone interact. energy: -0.553
local terms energy: -71.418234
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -12.148
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: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -186.909073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.909073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.909073 (E_RNA)
where:
Base-Base interactions energy: -125.830
where: short stacking energy: -65.860
Base-Backbone interact. energy: 0.646
local terms energy: -61.725280
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -199.717636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.717636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.717636 (E_RNA)
where:
Base-Base interactions energy: -126.216
where: short stacking energy: -65.405
Base-Backbone interact. energy: -0.043
local terms energy: -73.458316
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -19.431
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: 9
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -194.082886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.082886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.082886 (E_RNA)
where:
Base-Base interactions energy: -122.453
where: short stacking energy: -52.013
Base-Backbone interact. energy: -0.952
local terms energy: -70.678363
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -185.625014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.625014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.625014 (E_RNA)
where:
Base-Base interactions energy: -117.767
where: short stacking energy: -57.622
Base-Backbone interact. energy: -0.022
local terms energy: -67.835967
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -108.707963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.707963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.707963 (E_RNA)
where:
Base-Base interactions energy: -51.464
where: short stacking energy: -43.442
Base-Backbone interact. energy: -0.065
local terms energy: -57.179244
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -111.065764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.065764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.065764 (E_RNA)
where:
Base-Base interactions energy: -48.535
where: short stacking energy: -39.570
Base-Backbone interact. energy: -0.415
local terms energy: -62.116030
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -9.390
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: 8, replica: 3
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -98.969570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.969570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.969570 (E_RNA)
where:
Base-Base interactions energy: -43.613
where: short stacking energy: -38.618
Base-Backbone interact. energy: -0.088
local terms energy: -55.268486
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -100.415703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.415703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.415703 (E_RNA)
where:
Base-Base interactions energy: -39.360
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.109
local terms energy: -60.947315
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -77.535538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.535538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.535538 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -29.458
Base-Backbone interact. energy: -0.184
local terms energy: -47.893394
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -206.624102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.624102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.624102 (E_RNA)
where:
Base-Base interactions energy: -137.579
where: short stacking energy: -65.642
Base-Backbone interact. energy: 0.804
local terms energy: -69.848651
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -6.302
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: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -207.597284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.597284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.597284 (E_RNA)
where:
Base-Base interactions energy: -137.284
where: short stacking energy: -69.617
Base-Backbone interact. energy: -0.008
local terms energy: -70.305717
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -184.086220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.086220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.086220 (E_RNA)
where:
Base-Base interactions energy: -117.451
where: short stacking energy: -56.411
Base-Backbone interact. energy: -0.140
local terms energy: -66.494493
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -194.029152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.029152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.029152 (E_RNA)
where:
Base-Base interactions energy: -127.007
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.128
local terms energy: -66.893774
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -168.280111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.280111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.280111 (E_RNA)
where:
Base-Base interactions energy: -108.640
where: short stacking energy: -47.070
Base-Backbone interact. energy: -0.255
local terms energy: -59.384463
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -107.708667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.708667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.708667 (E_RNA)
where:
Base-Base interactions energy: -55.834
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.596
local terms energy: -51.278455
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -79.932696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.932696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.932696 (E_RNA)
where:
Base-Base interactions energy: -34.253
where: short stacking energy: -32.926
Base-Backbone interact. energy: 0.107
local terms energy: -45.786776
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -3.172
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: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -99.029817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.029817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.029817 (E_RNA)
where:
Base-Base interactions energy: -47.844
where: short stacking energy: -39.486
Base-Backbone interact. energy: -0.266
local terms energy: -50.920467
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -90.009047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.009047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.009047 (E_RNA)
where:
Base-Base interactions energy: -39.456
where: short stacking energy: -33.284
Base-Backbone interact. energy: -0.290
local terms energy: -50.263226
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -73.150408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.150408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.150408 (E_RNA)
where:
Base-Base interactions energy: -28.194
where: short stacking energy: -16.353
Base-Backbone interact. energy: 0.044
local terms energy: -44.999508
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: 4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -217.602241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.602241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.602241 (E_RNA)
where:
Base-Base interactions energy: -142.035
where: short stacking energy: -72.441
Base-Backbone interact. energy: -0.002
local terms energy: -75.565015
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -13.555
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: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -194.618458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.618458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.618458 (E_RNA)
where:
Base-Base interactions energy: -122.408
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.075
local terms energy: -72.135498
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -183.724407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.724407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.724407 (E_RNA)
where:
Base-Base interactions energy: -114.801
where: short stacking energy: -44.115
Base-Backbone interact. energy: -0.909
local terms energy: -68.014524
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -190.083070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.083070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.083070 (E_RNA)
where:
Base-Base interactions energy: -124.616
where: short stacking energy: -60.193
Base-Backbone interact. energy: -0.943
local terms energy: -64.523836
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -113.755715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.755715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.755715 (E_RNA)
where:
Base-Base interactions energy: -60.741
where: short stacking energy: -43.088
Base-Backbone interact. energy: -0.113
local terms energy: -52.901521
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -170.519315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.519315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.519315 (E_RNA)
where:
Base-Base interactions energy: -114.929
where: short stacking energy: -46.025
Base-Backbone interact. energy: -0.370
local terms energy: -55.220768
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -87.893034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.893034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.893034 (E_RNA)
where:
Base-Base interactions energy: -31.309
where: short stacking energy: -30.852
Base-Backbone interact. energy: -0.030
local terms energy: -56.553428
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.745
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: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -111.916267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.916267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.916267 (E_RNA)
where:
Base-Base interactions energy: -71.006
where: short stacking energy: -34.961
Base-Backbone interact. energy: -0.331
local terms energy: -40.579607
where:
bonds (distance) C4'-P energy: -1.559
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -79.917204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.917204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.917204 (E_RNA)
where:
Base-Base interactions energy: -28.696
where: short stacking energy: -28.042
Base-Backbone interact. energy: -0.008
local terms energy: -51.212789
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -71.914893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.914893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.914893 (E_RNA)
where:
Base-Base interactions energy: -23.283
where: short stacking energy: -18.199
Base-Backbone interact. energy: 0.486
local terms energy: -49.117770
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -4.910
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: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -205.490996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.490996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.490996 (E_RNA)
where:
Base-Base interactions energy: -136.119
where: short stacking energy: -61.921
Base-Backbone interact. energy: -0.240
local terms energy: -69.131733
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -16.274
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: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -191.421962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.421962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.421962 (E_RNA)
where:
Base-Base interactions energy: -124.850
where: short stacking energy: -56.674
Base-Backbone interact. energy: -1.027
local terms energy: -65.545231
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.506
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -191.600944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.600944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.600944 (E_RNA)
where:
Base-Base interactions energy: -117.859
where: short stacking energy: -58.403
Base-Backbone interact. energy: -0.071
local terms energy: -73.670490
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -16.274
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: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -190.898040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.898040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.898040 (E_RNA)
where:
Base-Base interactions energy: -128.354
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.110
local terms energy: -62.434475
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -16.200
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: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -140.029372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.029372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.029372 (E_RNA)
where:
Base-Base interactions energy: -80.581
where: short stacking energy: -47.228
Base-Backbone interact. energy: -0.537
local terms energy: -58.911495
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -8.511
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: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -182.612277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.612277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.612277 (E_RNA)
where:
Base-Base interactions energy: -127.099
where: short stacking energy: -52.324
Base-Backbone interact. energy: -0.189
local terms energy: -55.324335
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -13.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -94.907193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.907193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.907193 (E_RNA)
where:
Base-Base interactions energy: -35.675
where: short stacking energy: -35.675
Base-Backbone interact. energy: -0.020
local terms energy: -59.212469
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -89.527170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.527170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.527170 (E_RNA)
where:
Base-Base interactions energy: -35.370
where: short stacking energy: -19.592
Base-Backbone interact. energy: -1.082
local terms energy: -53.075387
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -9.550
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: 9, replica: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -102.978834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.978834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.978834 (E_RNA)
where:
Base-Base interactions energy: -43.901
where: short stacking energy: -25.609
Base-Backbone interact. energy: -0.236
local terms energy: -58.841810
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -73.930276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.930276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.930276 (E_RNA)
where:
Base-Base interactions energy: -21.435
where: short stacking energy: -19.468
Base-Backbone interact. energy: -0.948
local terms energy: -51.547360
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -199.776060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.776060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.776060 (E_RNA)
where:
Base-Base interactions energy: -129.135
where: short stacking energy: -64.554
Base-Backbone interact. energy: -0.200
local terms energy: -70.440249
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -198.351556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.351556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.351556 (E_RNA)
where:
Base-Base interactions energy: -136.637
where: short stacking energy: -59.840
Base-Backbone interact. energy: -0.393
local terms energy: -61.322111
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -7.851
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: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -196.191411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.191411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.191411 (E_RNA)
where:
Base-Base interactions energy: -129.172
where: short stacking energy: -53.032
Base-Backbone interact. energy: -0.169
local terms energy: -66.851282
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -192.366036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.366036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.366036 (E_RNA)
where:
Base-Base interactions energy: -133.297
where: short stacking energy: -57.917
Base-Backbone interact. energy: -0.109
local terms energy: -58.960157
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -172.783674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.783674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.783674 (E_RNA)
where:
Base-Base interactions energy: -109.153
where: short stacking energy: -46.921
Base-Backbone interact. energy: -0.599
local terms energy: -63.031950
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -148.607164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.607164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.607164 (E_RNA)
where:
Base-Base interactions energy: -84.757
where: short stacking energy: -48.865
Base-Backbone interact. energy: -1.351
local terms energy: -62.499279
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -85.702199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.702199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.702199 (E_RNA)
where:
Base-Base interactions energy: -35.967
where: short stacking energy: -32.836
Base-Backbone interact. energy: 0.223
local terms energy: -49.958083
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -78.740621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.740621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.740621 (E_RNA)
where:
Base-Base interactions energy: -38.248
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.298
local terms energy: -40.194120
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -1.037
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: 9, replica: 3
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -87.094703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094703 (E_RNA)
where:
Base-Base interactions energy: -37.563
where: short stacking energy: -36.476
Base-Backbone interact. energy: -0.703
local terms energy: -48.828215
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -2.373
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -76.151909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.151909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.151909 (E_RNA)
where:
Base-Base interactions energy: -30.108
where: short stacking energy: -27.361
Base-Backbone interact. energy: -0.870
local terms energy: -45.174554
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -7.635
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: 0.457
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: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -199.281138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.281138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.281138 (E_RNA)
where:
Base-Base interactions energy: -135.414
where: short stacking energy: -66.314
Base-Backbone interact. energy: -0.282
local terms energy: -63.585090
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -196.503247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.503247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.503247 (E_RNA)
where:
Base-Base interactions energy: -132.113
where: short stacking energy: -56.988
Base-Backbone interact. energy: -0.235
local terms energy: -64.154563
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -186.851953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.851953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.851953 (E_RNA)
where:
Base-Base interactions energy: -116.015
where: short stacking energy: -51.845
Base-Backbone interact. energy: -0.004
local terms energy: -70.832465
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -200.202978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.202978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.202978 (E_RNA)
where:
Base-Base interactions energy: -140.872
where: short stacking energy: -47.709
Base-Backbone interact. energy: -0.236
local terms energy: -59.094566
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -10.006
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: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -184.356244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.356244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.356244 (E_RNA)
where:
Base-Base interactions energy: -119.471
where: short stacking energy: -49.286
Base-Backbone interact. energy: -0.284
local terms energy: -64.600319
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -148.867661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.867661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.867661 (E_RNA)
where:
Base-Base interactions energy: -85.034
where: short stacking energy: -46.773
Base-Backbone interact. energy: -0.010
local terms energy: -63.824251
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -99.886379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.886379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.886379 (E_RNA)
where:
Base-Base interactions energy: -37.778
where: short stacking energy: -37.778
Base-Backbone interact. energy: -0.075
local terms energy: -62.034170
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -86.327406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327406 (E_RNA)
where:
Base-Base interactions energy: -38.361
where: short stacking energy: -38.361
Base-Backbone interact. energy: 0.097
local terms energy: -48.063676
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -2.714
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: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -82.607386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.607386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.607386 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -23.501
Base-Backbone interact. energy: -1.063
local terms energy: -43.089866
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: 0.166
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: 10, replica: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -83.267049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.267049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.267049 (E_RNA)
where:
Base-Base interactions energy: -40.310
where: short stacking energy: -24.763
Base-Backbone interact. energy: -0.198
local terms energy: -42.758905
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -7.728
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -0.595
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: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -209.715262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.715262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.715262 (E_RNA)
where:
Base-Base interactions energy: -140.552
where: short stacking energy: -58.872
Base-Backbone interact. energy: 0.325
local terms energy: -69.488194
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -9.371
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: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -195.287830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.287830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.287830 (E_RNA)
where:
Base-Base interactions energy: -126.890
where: short stacking energy: -66.990
Base-Backbone interact. energy: 0.496
local terms energy: -68.893160
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -210.871764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.871764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.871764 (E_RNA)
where:
Base-Base interactions energy: -151.766
where: short stacking energy: -55.073
Base-Backbone interact. energy: -0.085
local terms energy: -59.020161
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -196.468697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.468697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.468697 (E_RNA)
where:
Base-Base interactions energy: -120.875
where: short stacking energy: -57.240
Base-Backbone interact. energy: -0.014
local terms energy: -75.579981
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -176.652991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.652991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.652991 (E_RNA)
where:
Base-Base interactions energy: -113.684
where: short stacking energy: -46.940
Base-Backbone interact. energy: -0.284
local terms energy: -62.684760
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -7.780
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: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -135.556997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.556997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.556997 (E_RNA)
where:
Base-Base interactions energy: -69.559
where: short stacking energy: -38.148
Base-Backbone interact. energy: -0.129
local terms energy: -65.869335
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -8.890
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: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -89.266846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.266846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.266846 (E_RNA)
where:
Base-Base interactions energy: -34.014
where: short stacking energy: -25.633
Base-Backbone interact. energy: -0.335
local terms energy: -54.918579
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -9.735
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: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -77.419877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.419877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.419877 (E_RNA)
where:
Base-Base interactions energy: -23.966
where: short stacking energy: -19.641
Base-Backbone interact. energy: -1.016
local terms energy: -52.437151
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -86.491770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.491770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.491770 (E_RNA)
where:
Base-Base interactions energy: -38.185
where: short stacking energy: -33.098
Base-Backbone interact. energy: 0.326
local terms energy: -48.632440
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -5.190
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: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -97.544269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.544269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.544269 (E_RNA)
where:
Base-Base interactions energy: -42.219
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.039
local terms energy: -55.285993
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -8.508
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: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -211.870148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.870148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.870148 (E_RNA)
where:
Base-Base interactions energy: -141.686
where: short stacking energy: -62.895
Base-Backbone interact. energy: 0.014
local terms energy: -70.197547
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -8.669
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: 2, replica: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -201.621888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.621888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.621888 (E_RNA)
where:
Base-Base interactions energy: -144.466
where: short stacking energy: -64.983
Base-Backbone interact. energy: -0.553
local terms energy: -56.602441
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -4.554
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: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -185.519839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519839 (E_RNA)
where:
Base-Base interactions energy: -115.657
where: short stacking energy: -64.797
Base-Backbone interact. energy: -0.097
local terms energy: -69.766080
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -8.516
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: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -188.277277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.277277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.277277 (E_RNA)
where:
Base-Base interactions energy: -119.490
where: short stacking energy: -57.333
Base-Backbone interact. energy: -0.024
local terms energy: -68.763092
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -13.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -175.506565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.506565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.506565 (E_RNA)
where:
Base-Base interactions energy: -109.804
where: short stacking energy: -41.534
Base-Backbone interact. energy: -0.990
local terms energy: -64.713325
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -120.583659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.583659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.583659 (E_RNA)
where:
Base-Base interactions energy: -60.382
where: short stacking energy: -37.308
Base-Backbone interact. energy: -0.390
local terms energy: -59.811860
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -104.702792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.702792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.702792 (E_RNA)
where:
Base-Base interactions energy: -53.280
where: short stacking energy: -24.661
Base-Backbone interact. energy: -0.450
local terms energy: -50.972963
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: 0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -94.129241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.129241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.129241 (E_RNA)
where:
Base-Base interactions energy: -50.839
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.154
local terms energy: -43.136051
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -81.658617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.658617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.658617 (E_RNA)
where:
Base-Base interactions energy: -28.429
where: short stacking energy: -26.620
Base-Backbone interact. energy: -0.142
local terms energy: -53.087718
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -5.418
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: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -80.685955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.685955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.685955 (E_RNA)
where:
Base-Base interactions energy: -36.852
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.157
local terms energy: -43.676877
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -216.625659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.625659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.625659 (E_RNA)
where:
Base-Base interactions energy: -145.638
where: short stacking energy: -74.597
Base-Backbone interact. energy: -0.009
local terms energy: -70.978436
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -205.073213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.073213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.073213 (E_RNA)
where:
Base-Base interactions energy: -145.558
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.145
local terms energy: -59.370503
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -190.441511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.441511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.441511 (E_RNA)
where:
Base-Base interactions energy: -128.730
where: short stacking energy: -48.874
Base-Backbone interact. energy: -0.115
local terms energy: -61.596678
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -6.372
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: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -177.369523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.369523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.369523 (E_RNA)
where:
Base-Base interactions energy: -105.421
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.009
local terms energy: -71.939604
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -18.996
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: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -176.483729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.483729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.483729 (E_RNA)
where:
Base-Base interactions energy: -119.827
where: short stacking energy: -48.710
Base-Backbone interact. energy: -1.125
local terms energy: -55.531038
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -109.599577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.599577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.599577 (E_RNA)
where:
Base-Base interactions energy: -53.576
where: short stacking energy: -41.435
Base-Backbone interact. energy: -0.269
local terms energy: -55.754888
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -7.216
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: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -91.002520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.002520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.002520 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -34.336
Base-Backbone interact. energy: -1.200
local terms energy: -50.931930
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -5.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -88.132171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.132171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.132171 (E_RNA)
where:
Base-Base interactions energy: -33.311
where: short stacking energy: -33.311
Base-Backbone interact. energy: -0.296
local terms energy: -54.525369
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -2.172
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: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -78.324333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.324333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.324333 (E_RNA)
where:
Base-Base interactions energy: -28.852
where: short stacking energy: -19.683
Base-Backbone interact. energy: -0.245
local terms energy: -49.227295
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: 2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -76.848430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.848430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.848430 (E_RNA)
where:
Base-Base interactions energy: -17.477
where: short stacking energy: -15.394
Base-Backbone interact. energy: -0.199
local terms energy: -59.172684
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -4.064
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: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -194.481843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.481843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.481843 (E_RNA)
where:
Base-Base interactions energy: -128.779
where: short stacking energy: -55.907
Base-Backbone interact. energy: -0.095
local terms energy: -65.608046
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -5.425
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: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -221.116010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.116010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.116010 (E_RNA)
where:
Base-Base interactions energy: -150.194
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.002
local terms energy: -70.919511
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -11.099
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: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -193.526010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.526010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.526010 (E_RNA)
where:
Base-Base interactions energy: -126.100
where: short stacking energy: -63.793
Base-Backbone interact. energy: -0.107
local terms energy: -67.318518
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.133
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: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -185.112662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.112662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.112662 (E_RNA)
where:
Base-Base interactions energy: -114.330
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.345
local terms energy: -70.436963
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -179.891302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.891302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.891302 (E_RNA)
where:
Base-Base interactions energy: -119.567
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.181
local terms energy: -60.142943
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -119.307762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.307762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.307762 (E_RNA)
where:
Base-Base interactions energy: -66.208
where: short stacking energy: -30.747
Base-Backbone interact. energy: -0.051
local terms energy: -53.048849
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -0.951
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: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -93.227566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.227566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.227566 (E_RNA)
where:
Base-Base interactions energy: -41.438
where: short stacking energy: -32.800
Base-Backbone interact. energy: -0.025
local terms energy: -51.764451
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -123.402645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.402645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.402645 (E_RNA)
where:
Base-Base interactions energy: -77.042
where: short stacking energy: -32.972
Base-Backbone interact. energy: -0.080
local terms energy: -46.280685
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -5.789
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: 23
Temperature: 1.300000
Total energy: -88.109754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.109754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.109754 (E_RNA)
where:
Base-Base interactions energy: -35.097
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.280
local terms energy: -52.732960
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: 0.577
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: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -77.304720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.304720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.304720 (E_RNA)
where:
Base-Base interactions energy: -27.521
where: short stacking energy: -26.473
Base-Backbone interact. energy: -0.122
local terms energy: -49.662276
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -221.580968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.580968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.580968 (E_RNA)
where:
Base-Base interactions energy: -153.089
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.206
local terms energy: -68.285911
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -9.822
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: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -214.520935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.520935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.520935 (E_RNA)
where:
Base-Base interactions energy: -143.215
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.275
local terms energy: -71.031070
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -7.665
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: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -164.129326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.129326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.129326 (E_RNA)
where:
Base-Base interactions energy: -101.062
where: short stacking energy: -44.887
Base-Backbone interact. energy: -1.408
local terms energy: -61.659083
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -202.799768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.799768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.799768 (E_RNA)
where:
Base-Base interactions energy: -132.482
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.008
local terms energy: -70.310177
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -9.589
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: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -180.587751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.587751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.587751 (E_RNA)
where:
Base-Base interactions energy: -117.363
where: short stacking energy: -58.934
Base-Backbone interact. energy: -0.077
local terms energy: -63.147786
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -5.095
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: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -134.849551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.849551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.849551 (E_RNA)
where:
Base-Base interactions energy: -71.151
where: short stacking energy: -41.038
Base-Backbone interact. energy: -1.256
local terms energy: -62.442473
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -6.431
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: 24
Temperature: 1.200000
Total energy: -84.658937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.658937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.658937 (E_RNA)
where:
Base-Base interactions energy: -33.060
where: short stacking energy: -29.511
Base-Backbone interact. energy: -0.069
local terms energy: -51.529870
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -6.512
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: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -85.877009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.877009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.877009 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -21.158
Base-Backbone interact. energy: -0.166
local terms energy: -50.902784
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -2.097
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: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -78.820687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.820687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.820687 (E_RNA)
where:
Base-Base interactions energy: -31.315
where: short stacking energy: -28.279
Base-Backbone interact. energy: -0.011
local terms energy: -47.494496
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -74.459380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.459380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.459380 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -26.731
Base-Backbone interact. energy: -1.717
local terms energy: -42.791608
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -227.420330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.420330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.420330 (E_RNA)
where:
Base-Base interactions energy: -158.937
where: short stacking energy: -65.681
Base-Backbone interact. energy: 1.495
local terms energy: -69.978540
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -211.877486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.877486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.877486 (E_RNA)
where:
Base-Base interactions energy: -144.891
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.028
local terms energy: -66.958244
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -5.707
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: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -180.165005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.165005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.165005 (E_RNA)
where:
Base-Base interactions energy: -112.534
where: short stacking energy: -56.599
Base-Backbone interact. energy: -0.064
local terms energy: -67.567944
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -203.317527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.317527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.317527 (E_RNA)
where:
Base-Base interactions energy: -135.855
where: short stacking energy: -64.389
Base-Backbone interact. energy: 0.078
local terms energy: -67.539982
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -177.230865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.230865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.230865 (E_RNA)
where:
Base-Base interactions energy: -115.885
where: short stacking energy: -57.601
Base-Backbone interact. energy: 0.198
local terms energy: -61.543492
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -100.396175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.396175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.396175 (E_RNA)
where:
Base-Base interactions energy: -41.023
where: short stacking energy: -33.732
Base-Backbone interact. energy: 0.484
local terms energy: -59.856961
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -6.164
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: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -134.770590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.770590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.770590 (E_RNA)
where:
Base-Base interactions energy: -74.027
where: short stacking energy: -45.191
Base-Backbone interact. energy: -0.233
local terms energy: -60.511455
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -95.176789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.176789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.176789 (E_RNA)
where:
Base-Base interactions energy: -36.530
where: short stacking energy: -36.530
Base-Backbone interact. energy: -0.319
local terms energy: -58.327777
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -79.858344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.858344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.858344 (E_RNA)
where:
Base-Base interactions energy: -25.092
where: short stacking energy: -25.092
Base-Backbone interact. energy: -0.064
local terms energy: -54.702735
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -73.626445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.626445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.626445 (E_RNA)
where:
Base-Base interactions energy: -26.599
where: short stacking energy: -25.629
Base-Backbone interact. energy: -0.107
local terms energy: -46.920872
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -211.623267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.623267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.623267 (E_RNA)
where:
Base-Base interactions energy: -141.694
where: short stacking energy: -58.631
Base-Backbone interact. energy: -0.929
local terms energy: -69.000746
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -13.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -222.174697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.174697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.174697 (E_RNA)
where:
Base-Base interactions energy: -152.364
where: short stacking energy: -57.067
Base-Backbone interact. energy: -0.115
local terms energy: -69.696012
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -198.059023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.059023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.059023 (E_RNA)
where:
Base-Base interactions energy: -131.693
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.277
local terms energy: -66.089015
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -166.798687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.798687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.798687 (E_RNA)
where:
Base-Base interactions energy: -97.461
where: short stacking energy: -53.939
Base-Backbone interact. energy: -1.980
local terms energy: -67.357808
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -185.008537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.008537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.008537 (E_RNA)
where:
Base-Base interactions energy: -117.002
where: short stacking energy: -52.447
Base-Backbone interact. energy: 0.626
local terms energy: -68.632577
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -96.348970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.348970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.348970 (E_RNA)
where:
Base-Base interactions energy: -35.930
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.940
local terms energy: -59.479780
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -4.361
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: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -130.201119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.201119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.201119 (E_RNA)
where:
Base-Base interactions energy: -79.199
where: short stacking energy: -47.030
Base-Backbone interact. energy: -0.765
local terms energy: -50.237543
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -7.670
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: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -86.300594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.300594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.300594 (E_RNA)
where:
Base-Base interactions energy: -41.395
where: short stacking energy: -41.395
Base-Backbone interact. energy: -0.208
local terms energy: -44.697808
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -9.402
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -3.279
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: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -87.144871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.144871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.144871 (E_RNA)
where:
Base-Base interactions energy: -37.341
where: short stacking energy: -34.205
Base-Backbone interact. energy: -0.645
local terms energy: -49.158781
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -76.288184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.288184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.288184 (E_RNA)
where:
Base-Base interactions energy: -29.168
where: short stacking energy: -28.916
Base-Backbone interact. energy: -0.250
local terms energy: -46.870041
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -4.559
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: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -217.565577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.565577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.565577 (E_RNA)
where:
Base-Base interactions energy: -148.393
where: short stacking energy: -62.790
Base-Backbone interact. energy: -1.196
local terms energy: -67.976710
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -198.145824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.145824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.145824 (E_RNA)
where:
Base-Base interactions energy: -131.918
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.673
local terms energy: -65.554599
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -3.043
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -207.183978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.183978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.183978 (E_RNA)
where:
Base-Base interactions energy: -139.593
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.589
local terms energy: -67.002115
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -8.897
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: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -184.537678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.537678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.537678 (E_RNA)
where:
Base-Base interactions energy: -121.116
where: short stacking energy: -53.045
Base-Backbone interact. energy: -0.025
local terms energy: -63.396170
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -160.470053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.470053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.470053 (E_RNA)
where:
Base-Base interactions energy: -89.998
where: short stacking energy: -48.906
Base-Backbone interact. energy: -0.040
local terms energy: -70.432619
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -10.941
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: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -130.812331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.812331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.812331 (E_RNA)
where:
Base-Base interactions energy: -77.122
where: short stacking energy: -41.839
Base-Backbone interact. energy: 1.712
local terms energy: -55.402143
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -9.318
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: 27
Temperature: 1.200000
Total energy: -89.088120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.088120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.088120 (E_RNA)
where:
Base-Base interactions energy: -36.838
where: short stacking energy: -34.987
Base-Backbone interact. energy: -0.002
local terms energy: -52.248456
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -90.564294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.564294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.564294 (E_RNA)
where:
Base-Base interactions energy: -39.025
where: short stacking energy: -36.565
Base-Backbone interact. energy: -0.190
local terms energy: -51.349470
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -80.969490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.969490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.969490 (E_RNA)
where:
Base-Base interactions energy: -40.732
where: short stacking energy: -29.515
Base-Backbone interact. energy: -0.435
local terms energy: -39.803071
where:
bonds (distance) C4'-P energy: -7.262
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -75.131899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.131899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.131899 (E_RNA)
where:
Base-Base interactions energy: -27.185
where: short stacking energy: -21.789
Base-Backbone interact. energy: 0.800
local terms energy: -48.747661
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -226.291948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.291948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.291948 (E_RNA)
where:
Base-Base interactions energy: -157.167
where: short stacking energy: -63.431
Base-Backbone interact. energy: 0.542
local terms energy: -69.666636
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -8.163
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: 2, replica: 9
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -209.527075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.527075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.527075 (E_RNA)
where:
Base-Base interactions energy: -147.640
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.013
local terms energy: -61.874038
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -191.621741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.621741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.621741 (E_RNA)
where:
Base-Base interactions energy: -125.971
where: short stacking energy: -54.886
Base-Backbone interact. energy: 0.573
local terms energy: -66.223592
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -184.608370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.608370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.608370 (E_RNA)
where:
Base-Base interactions energy: -131.564
where: short stacking energy: -52.409
Base-Backbone interact. energy: 0.126
local terms energy: -53.170474
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -147.050415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.050415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.050415 (E_RNA)
where:
Base-Base interactions energy: -84.319
where: short stacking energy: -45.032
Base-Backbone interact. energy: -0.167
local terms energy: -62.564025
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -7.500
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: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -161.616245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.616245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.616245 (E_RNA)
where:
Base-Base interactions energy: -101.730
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.064
local terms energy: -59.822262
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -93.100197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.100197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.100197 (E_RNA)
where:
Base-Base interactions energy: -43.259
where: short stacking energy: -42.087
Base-Backbone interact. energy: 0.190
local terms energy: -50.030880
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -85.753216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.753216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.753216 (E_RNA)
where:
Base-Base interactions energy: -35.932
where: short stacking energy: -35.610
Base-Backbone interact. energy: -0.027
local terms energy: -49.794877
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -3.808
tors. eta vs tors. theta energy: -2.423
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: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -86.663754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.663754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.663754 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -30.062
Base-Backbone interact. energy: -0.027
local terms energy: -47.731987
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -4.447
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: 28
Temperature: 1.350000
Total energy: -75.874310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.874310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.874310 (E_RNA)
where:
Base-Base interactions energy: -29.266
where: short stacking energy: -24.336
Base-Backbone interact. energy: -0.354
local terms energy: -46.254251
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: -2.744
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: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -231.269797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.269797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.269797 (E_RNA)
where:
Base-Base interactions energy: -156.526
where: short stacking energy: -59.921
Base-Backbone interact. energy: -1.025
local terms energy: -73.718850
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -202.513452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.513452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.513452 (E_RNA)
where:
Base-Base interactions energy: -131.687
where: short stacking energy: -55.271
Base-Backbone interact. energy: -0.819
local terms energy: -70.007832
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -193.060500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.060500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.060500 (E_RNA)
where:
Base-Base interactions energy: -122.050
where: short stacking energy: -49.944
Base-Backbone interact. energy: -0.083
local terms energy: -70.927889
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -12.135
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: 29
Temperature: 1.050000
Total energy: -186.632864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.632864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.632864 (E_RNA)
where:
Base-Base interactions energy: -126.749
where: short stacking energy: -59.540
Base-Backbone interact. energy: -0.107
local terms energy: -59.777260
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -125.697636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.697636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.697636 (E_RNA)
where:
Base-Base interactions energy: -76.143
where: short stacking energy: -40.926
Base-Backbone interact. energy: -0.151
local terms energy: -49.403842
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -94.541759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.541759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.541759 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -23.993
Base-Backbone interact. energy: -0.421
local terms energy: -55.591094
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -135.393144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.393144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.393144 (E_RNA)
where:
Base-Base interactions energy: -78.000
where: short stacking energy: -41.494
Base-Backbone interact. energy: 0.493
local terms energy: -57.886743
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -98.335898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.335898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.335898 (E_RNA)
where:
Base-Base interactions energy: -40.590
where: short stacking energy: -40.458
Base-Backbone interact. energy: -0.033
local terms energy: -57.712935
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -80.483307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.483307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.483307 (E_RNA)
where:
Base-Base interactions energy: -32.992
where: short stacking energy: -32.992
Base-Backbone interact. energy: -0.165
local terms energy: -47.326534
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -4.302
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: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -82.099606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.099606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.099606 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -12.153
Base-Backbone interact. energy: 0.900
local terms energy: -50.195628
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -216.758480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.758480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.758480 (E_RNA)
where:
Base-Base interactions energy: -143.916
where: short stacking energy: -64.207
Base-Backbone interact. energy: -0.646
local terms energy: -72.195943
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -14.422
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: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -223.933374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.933374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.933374 (E_RNA)
where:
Base-Base interactions energy: -150.714
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.972
local terms energy: -72.247285
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -8.114
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: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -194.432698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.432698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.432698 (E_RNA)
where:
Base-Base interactions energy: -122.647
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.015
local terms energy: -71.770572
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -183.428277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.428277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.428277 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -50.683
Base-Backbone interact. energy: -0.210
local terms energy: -62.171491
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -9.382
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: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -131.625407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.625407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.625407 (E_RNA)
where:
Base-Base interactions energy: -74.928
where: short stacking energy: -41.885
Base-Backbone interact. energy: -0.011
local terms energy: -56.686187
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -7.034
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: 30
Temperature: 1.150000
Total energy: -102.979292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.979292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.979292 (E_RNA)
where:
Base-Base interactions energy: -43.830
where: short stacking energy: -38.850
Base-Backbone interact. energy: -0.108
local terms energy: -59.041456
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -10.687
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: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -145.874577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.874577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.874577 (E_RNA)
where:
Base-Base interactions energy: -89.149
where: short stacking energy: -45.360
Base-Backbone interact. energy: -0.128
local terms energy: -56.597881
where:
bonds (distance) C4'-P energy: -4.286
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -91.751794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.751794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.751794 (E_RNA)
where:
Base-Base interactions energy: -42.427
where: short stacking energy: -41.234
Base-Backbone interact. energy: 0.773
local terms energy: -50.097354
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -90.218659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.218659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.218659 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -21.817
Base-Backbone interact. energy: -0.037
local terms energy: -55.511085
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -2.012
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: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -78.790117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.790117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.790117 (E_RNA)
where:
Base-Base interactions energy: -26.619
where: short stacking energy: -26.619
Base-Backbone interact. energy: -0.072
local terms energy: -52.098648
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -224.236627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.236627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.236627 (E_RNA)
where:
Base-Base interactions energy: -151.378
where: short stacking energy: -65.691
Base-Backbone interact. energy: -1.594
local terms energy: -71.264865
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -209.333537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.333537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.333537 (E_RNA)
where:
Base-Base interactions energy: -125.835
where: short stacking energy: -67.270
Base-Backbone interact. energy: -0.003
local terms energy: -83.494890
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -19.491
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: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -196.010591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.010591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.010591 (E_RNA)
where:
Base-Base interactions energy: -125.121
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.104
local terms energy: -70.785580
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -169.113282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.113282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.113282 (E_RNA)
where:
Base-Base interactions energy: -99.399
where: short stacking energy: -53.916
Base-Backbone interact. energy: 0.370
local terms energy: -70.084404
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -190.830970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.830970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.830970 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -59.834
Base-Backbone interact. energy: -0.145
local terms energy: -66.202174
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -132.917986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.917986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.917986 (E_RNA)
where:
Base-Base interactions energy: -73.792
where: short stacking energy: -38.900
Base-Backbone interact. energy: -0.137
local terms energy: -58.989661
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -92.085346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.085346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.085346 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -27.945
Base-Backbone interact. energy: -0.067
local terms energy: -51.730193
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -89.369803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.369803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.369803 (E_RNA)
where:
Base-Base interactions energy: -42.177
where: short stacking energy: -35.670
Base-Backbone interact. energy: -0.035
local terms energy: -47.157715
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -4.851
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: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -89.914211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.914211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.914211 (E_RNA)
where:
Base-Base interactions energy: -33.261
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.145
local terms energy: -56.508613
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -7.044
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: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -75.683192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.683192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.683192 (E_RNA)
where:
Base-Base interactions energy: -28.915
where: short stacking energy: -14.198
Base-Backbone interact. energy: -0.014
local terms energy: -46.754420
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -2.713
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: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -212.108174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.108174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.108174 (E_RNA)
where:
Base-Base interactions energy: -140.560
where: short stacking energy: -70.080
Base-Backbone interact. energy: -0.487
local terms energy: -71.061233
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -12.635
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: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -208.414495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.414495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.414495 (E_RNA)
where:
Base-Base interactions energy: -151.003
where: short stacking energy: -57.294
Base-Backbone interact. energy: -1.361
local terms energy: -56.049833
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -10.968
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: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -197.053755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.053755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.053755 (E_RNA)
where:
Base-Base interactions energy: -123.643
where: short stacking energy: -63.038
Base-Backbone interact. energy: -0.107
local terms energy: -73.303481
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -161.479172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.479172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.479172 (E_RNA)
where:
Base-Base interactions energy: -97.484
where: short stacking energy: -51.483
Base-Backbone interact. energy: -0.053
local terms energy: -63.941774
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -12.949
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: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -183.513547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.513547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.513547 (E_RNA)
where:
Base-Base interactions energy: -114.108
where: short stacking energy: -56.810
Base-Backbone interact. energy: -0.004
local terms energy: -69.401285
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -132.270408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.270408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.270408 (E_RNA)
where:
Base-Base interactions energy: -78.386
where: short stacking energy: -46.291
Base-Backbone interact. energy: 2.054
local terms energy: -55.938498
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -11.730
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: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -84.593404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.593404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.593404 (E_RNA)
where:
Base-Base interactions energy: -28.667
where: short stacking energy: -23.958
Base-Backbone interact. energy: -0.109
local terms energy: -55.817725
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -84.235221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.235221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.235221 (E_RNA)
where:
Base-Base interactions energy: -38.787
where: short stacking energy: -38.787
Base-Backbone interact. energy: -0.017
local terms energy: -45.431512
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -85.009339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.009339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.009339 (E_RNA)
where:
Base-Base interactions energy: -38.746
where: short stacking energy: -37.215
Base-Backbone interact. energy: -0.099
local terms energy: -46.163898
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -5.550
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -92.826428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.826428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.826428 (E_RNA)
where:
Base-Base interactions energy: -46.624
where: short stacking energy: -27.393
Base-Backbone interact. energy: -0.011
local terms energy: -46.191127
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -210.703984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.703984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.703984 (E_RNA)
where:
Base-Base interactions energy: -144.352
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.010
local terms energy: -66.342037
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.089
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: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -203.311238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.311238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.311238 (E_RNA)
where:
Base-Base interactions energy: -130.789
where: short stacking energy: -70.368
Base-Backbone interact. energy: -0.018
local terms energy: -72.504526
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -216.748954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.748954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.748954 (E_RNA)
where:
Base-Base interactions energy: -147.420
where: short stacking energy: -58.076
Base-Backbone interact. energy: -0.222
local terms energy: -69.106176
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.082
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: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -191.170786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.170786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.170786 (E_RNA)
where:
Base-Base interactions energy: -120.739
where: short stacking energy: -56.325
Base-Backbone interact. energy: -0.014
local terms energy: -70.417831
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -148.024101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.024101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.024101 (E_RNA)
where:
Base-Base interactions energy: -85.174
where: short stacking energy: -47.319
Base-Backbone interact. energy: 0.499
local terms energy: -63.349249
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -10.273
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: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -136.155674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.155674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.155674 (E_RNA)
where:
Base-Base interactions energy: -82.343
where: short stacking energy: -44.336
Base-Backbone interact. energy: -0.011
local terms energy: -53.802118
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -2.582
tors. eta vs tors. theta energy: -9.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -76.373715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.373715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.373715 (E_RNA)
where:
Base-Base interactions energy: -28.540
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.151
local terms energy: -47.682585
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -7.469
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -4.266
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: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -93.371098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.371098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.371098 (E_RNA)
where:
Base-Base interactions energy: -45.403
where: short stacking energy: -29.805
Base-Backbone interact. energy: 0.139
local terms energy: -48.107521
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -5.019
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: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -85.742283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.742283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.742283 (E_RNA)
where:
Base-Base interactions energy: -46.939
where: short stacking energy: -23.423
Base-Backbone interact. energy: 0.179
local terms energy: -38.982117
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: 2.124
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -77.750246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.750246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.750246 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -26.364
Base-Backbone interact. energy: 0.676
local terms energy: -48.939594
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -6.772
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: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -204.299396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.299396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.299396 (E_RNA)
where:
Base-Base interactions energy: -135.140
where: short stacking energy: -70.129
Base-Backbone interact. energy: -0.025
local terms energy: -69.134398
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -212.855988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.855988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.855988 (E_RNA)
where:
Base-Base interactions energy: -137.975
where: short stacking energy: -71.151
Base-Backbone interact. energy: -0.002
local terms energy: -74.878949
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -18.668
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: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -207.448351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.448351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.448351 (E_RNA)
where:
Base-Base interactions energy: -135.548
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.141
local terms energy: -71.759058
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -10.743
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: 4, replica: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -195.781473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.781473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.781473 (E_RNA)
where:
Base-Base interactions energy: -121.680
where: short stacking energy: -61.165
Base-Backbone interact. energy: -0.001
local terms energy: -74.099707
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -10.568
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: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -151.998498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.998498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.998498 (E_RNA)
where:
Base-Base interactions energy: -86.365
where: short stacking energy: -54.699
Base-Backbone interact. energy: -0.673
local terms energy: -64.959871
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -130.772823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.772823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.772823 (E_RNA)
where:
Base-Base interactions energy: -75.100
where: short stacking energy: -42.639
Base-Backbone interact. energy: -0.285
local terms energy: -55.387685
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -114.581314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.581314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.581314 (E_RNA)
where:
Base-Base interactions energy: -59.587
where: short stacking energy: -35.277
Base-Backbone interact. energy: -0.851
local terms energy: -54.143776
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -95.728672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.728672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.728672 (E_RNA)
where:
Base-Base interactions energy: -41.614
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.059
local terms energy: -54.055593
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -80.836336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.836336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.836336 (E_RNA)
where:
Base-Base interactions energy: -25.165
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.117
local terms energy: -55.554282
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -3.588
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: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -90.672602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.672602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.672602 (E_RNA)
where:
Base-Base interactions energy: -42.729
where: short stacking energy: -28.219
Base-Backbone interact. energy: -0.006
local terms energy: -47.937281
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -202.995537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.995537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.995537 (E_RNA)
where:
Base-Base interactions energy: -132.633
where: short stacking energy: -64.780
Base-Backbone interact. energy: -0.119
local terms energy: -70.244167
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -204.033515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.033515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.033515 (E_RNA)
where:
Base-Base interactions energy: -140.259
where: short stacking energy: -61.190
Base-Backbone interact. energy: -0.055
local terms energy: -63.718919
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -9.620
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: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -195.484443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.484443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.484443 (E_RNA)
where:
Base-Base interactions energy: -128.031
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.008
local terms energy: -67.445906
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -156.489590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.489590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.489590 (E_RNA)
where:
Base-Base interactions energy: -102.744
where: short stacking energy: -50.905
Base-Backbone interact. energy: -0.121
local terms energy: -53.624903
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -184.241767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.241767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.241767 (E_RNA)
where:
Base-Base interactions energy: -120.876
where: short stacking energy: -56.940
Base-Backbone interact. energy: 0.008
local terms energy: -63.373394
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -12.824
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: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -135.355629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.355629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.355629 (E_RNA)
where:
Base-Base interactions energy: -75.596
where: short stacking energy: -41.064
Base-Backbone interact. energy: -0.014
local terms energy: -59.745275
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -7.642
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: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -85.353926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.353926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.353926 (E_RNA)
where:
Base-Base interactions energy: -31.776
where: short stacking energy: -22.856
Base-Backbone interact. energy: 0.352
local terms energy: -53.930498
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -89.566086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.566086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.566086 (E_RNA)
where:
Base-Base interactions energy: -39.705
where: short stacking energy: -32.685
Base-Backbone interact. energy: 0.019
local terms energy: -49.880336
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -5.162
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: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -87.486544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.486544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.486544 (E_RNA)
where:
Base-Base interactions energy: -35.342
where: short stacking energy: -34.511
Base-Backbone interact. energy: -0.076
local terms energy: -52.067746
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -5.017
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: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -75.178924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.178924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.178924 (E_RNA)
where:
Base-Base interactions energy: -35.742
where: short stacking energy: -34.527
Base-Backbone interact. energy: -0.296
local terms energy: -39.141636
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -0.758
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: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -214.054776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.054776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.054776 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -61.972
Base-Backbone interact. energy: -1.464
local terms energy: -70.951208
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -17.669
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -202.887865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.887865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.887865 (E_RNA)
where:
Base-Base interactions energy: -136.240
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.918
local terms energy: -65.730556
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -190.957038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.957038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.957038 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -60.641
Base-Backbone interact. energy: -0.109
local terms energy: -68.706989
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -16.638
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: 36
Temperature: 1.050000
Total energy: -153.216567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.216567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.216567 (E_RNA)
where:
Base-Base interactions energy: -91.012
where: short stacking energy: -35.577
Base-Backbone interact. energy: -0.170
local terms energy: -62.034704
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -186.260727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.260727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.260727 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -50.655
Base-Backbone interact. energy: 2.017
local terms energy: -56.201662
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -9.249
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: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -124.046342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.046342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.046342 (E_RNA)
where:
Base-Base interactions energy: -68.767
where: short stacking energy: -26.069
Base-Backbone interact. energy: -0.313
local terms energy: -54.967136
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -93.858614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.858614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.858614 (E_RNA)
where:
Base-Base interactions energy: -40.997
where: short stacking energy: -40.054
Base-Backbone interact. energy: -0.024
local terms energy: -52.837674
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -4.763
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: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -81.564992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.564992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.564992 (E_RNA)
where:
Base-Base interactions energy: -38.639
where: short stacking energy: -29.520
Base-Backbone interact. energy: -1.986
local terms energy: -40.939880
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -3.894
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -93.268606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.268606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.268606 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -26.376
Base-Backbone interact. energy: -0.154
local terms energy: -50.969102
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -4.883
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: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -80.394308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.394308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.394308 (E_RNA)
where:
Base-Base interactions energy: -30.677
where: short stacking energy: -30.677
Base-Backbone interact. energy: 0.153
local terms energy: -49.869607
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -219.321841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.321841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.321841 (E_RNA)
where:
Base-Base interactions energy: -148.747
where: short stacking energy: -67.617
Base-Backbone interact. energy: -0.320
local terms energy: -70.255431
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -7.592
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: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -200.111582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.111582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.111582 (E_RNA)
where:
Base-Base interactions energy: -129.503
where: short stacking energy: -63.434
Base-Backbone interact. energy: -0.559
local terms energy: -70.049508
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -193.841645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.841645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.841645 (E_RNA)
where:
Base-Base interactions energy: -129.173
where: short stacking energy: -59.927
Base-Backbone interact. energy: -0.252
local terms energy: -64.416946
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -7.459
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: 4, replica: 8
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -194.296684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.296684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.296684 (E_RNA)
where:
Base-Base interactions energy: -130.400
where: short stacking energy: -51.911
Base-Backbone interact. energy: -0.354
local terms energy: -63.542401
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -161.498038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.498038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.498038 (E_RNA)
where:
Base-Base interactions energy: -100.312
where: short stacking energy: -43.848
Base-Backbone interact. energy: 0.213
local terms energy: -61.399442
where:
bonds (distance) C4'-P energy: -7.236
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -9.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -99.244653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.244653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.244653 (E_RNA)
where:
Base-Base interactions energy: -42.028
where: short stacking energy: -37.991
Base-Backbone interact. energy: -0.116
local terms energy: -57.100407
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -6.510
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: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -111.520084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.520084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.520084 (E_RNA)
where:
Base-Base interactions energy: -55.956
where: short stacking energy: -37.033
Base-Backbone interact. energy: -0.752
local terms energy: -54.812518
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -90.691377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.691377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.691377 (E_RNA)
where:
Base-Base interactions energy: -40.568
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.213
local terms energy: -49.910780
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -2.422
tors. eta vs tors. theta energy: -7.171
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: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -107.298659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.298659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.298659 (E_RNA)
where:
Base-Base interactions energy: -50.747
where: short stacking energy: -38.091
Base-Backbone interact. energy: -0.282
local terms energy: -56.269705
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -83.295380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.295380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.295380 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -24.687
Base-Backbone interact. energy: -0.983
local terms energy: -52.751724
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -215.690368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.690368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.690368 (E_RNA)
where:
Base-Base interactions energy: -138.475
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.076
local terms energy: -77.140191
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -213.310405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.310405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.310405 (E_RNA)
where:
Base-Base interactions energy: -146.231
where: short stacking energy: -58.109
Base-Backbone interact. energy: -0.028
local terms energy: -67.050972
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -9.876
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -200.199287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.199287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.199287 (E_RNA)
where:
Base-Base interactions energy: -121.687
where: short stacking energy: -62.224
Base-Backbone interact. energy: -0.010
local terms energy: -78.501931
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -202.824406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.824406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.824406 (E_RNA)
where:
Base-Base interactions energy: -133.740
where: short stacking energy: -62.836
Base-Backbone interact. energy: -0.114
local terms energy: -68.970208
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -6.680
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: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -179.556478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.556478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.556478 (E_RNA)
where:
Base-Base interactions energy: -119.909
where: short stacking energy: -53.341
Base-Backbone interact. energy: -1.041
local terms energy: -58.607007
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -11.309
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: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -93.225820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.225820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.225820 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -37.075
Base-Backbone interact. energy: -0.263
local terms energy: -55.887738
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -92.959357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.959357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.959357 (E_RNA)
where:
Base-Base interactions energy: -39.847
where: short stacking energy: -34.356
Base-Backbone interact. energy: -0.706
local terms energy: -52.406361
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -117.053540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.053540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.053540 (E_RNA)
where:
Base-Base interactions energy: -64.598
where: short stacking energy: -25.159
Base-Backbone interact. energy: -0.520
local terms energy: -51.936096
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -94.051730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.051730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.051730 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -29.256
Base-Backbone interact. energy: -0.143
local terms energy: -54.349245
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -91.855703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.855703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.855703 (E_RNA)
where:
Base-Base interactions energy: -34.616
where: short stacking energy: -34.616
Base-Backbone interact. energy: 0.697
local terms energy: -57.936843
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -209.748063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.748063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.748063 (E_RNA)
where:
Base-Base interactions energy: -138.267
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.666
local terms energy: -70.814767
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -200.834077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.834077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.834077 (E_RNA)
where:
Base-Base interactions energy: -132.266
where: short stacking energy: -68.154
Base-Backbone interact. energy: -0.082
local terms energy: -68.486054
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -13.359
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: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -209.486581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.486581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.486581 (E_RNA)
where:
Base-Base interactions energy: -137.835
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.022
local terms energy: -71.629670
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -202.973888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.973888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.973888 (E_RNA)
where:
Base-Base interactions energy: -132.780
where: short stacking energy: -65.745
Base-Backbone interact. energy: 0.546
local terms energy: -70.740173
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -17.603
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: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -168.767894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.767894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.767894 (E_RNA)
where:
Base-Base interactions energy: -102.927
where: short stacking energy: -53.500
Base-Backbone interact. energy: -0.200
local terms energy: -65.640653
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -115.460365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.460365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.460365 (E_RNA)
where:
Base-Base interactions energy: -55.725
where: short stacking energy: -43.580
Base-Backbone interact. energy: -0.225
local terms energy: -59.510113
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -4.293
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: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -86.048751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.048751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.048751 (E_RNA)
where:
Base-Base interactions energy: -26.453
where: short stacking energy: -25.006
Base-Backbone interact. energy: -0.170
local terms energy: -59.425311
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -111.356268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.356268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.356268 (E_RNA)
where:
Base-Base interactions energy: -51.421
where: short stacking energy: -24.726
Base-Backbone interact. energy: -0.742
local terms energy: -59.192752
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -91.980774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.980774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.980774 (E_RNA)
where:
Base-Base interactions energy: -44.414
where: short stacking energy: -24.542
Base-Backbone interact. energy: -0.430
local terms energy: -47.136388
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -85.341142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341142 (E_RNA)
where:
Base-Base interactions energy: -32.381
where: short stacking energy: -24.130
Base-Backbone interact. energy: -0.144
local terms energy: -52.816066
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -8.252
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -221.612624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.612624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.612624 (E_RNA)
where:
Base-Base interactions energy: -149.050
where: short stacking energy: -58.354
Base-Backbone interact. energy: -0.266
local terms energy: -72.296524
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -198.177020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.177020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.177020 (E_RNA)
where:
Base-Base interactions energy: -131.072
where: short stacking energy: -67.939
Base-Backbone interact. energy: 1.425
local terms energy: -68.530014
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -9.159
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: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -193.216365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.216365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.216365 (E_RNA)
where:
Base-Base interactions energy: -127.375
where: short stacking energy: -60.022
Base-Backbone interact. energy: -0.092
local terms energy: -65.749769
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -6.243
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: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -199.174923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.174923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.174923 (E_RNA)
where:
Base-Base interactions energy: -134.686
where: short stacking energy: -54.366
Base-Backbone interact. energy: -0.284
local terms energy: -64.204584
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -177.032908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.032908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.032908 (E_RNA)
where:
Base-Base interactions energy: -116.787
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.142
local terms energy: -60.103296
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -14.529
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: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -127.998385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.998385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.998385 (E_RNA)
where:
Base-Base interactions energy: -69.276
where: short stacking energy: -44.953
Base-Backbone interact. energy: 0.442
local terms energy: -59.164878
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -108.016299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.016299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.016299 (E_RNA)
where:
Base-Base interactions energy: -54.732
where: short stacking energy: -29.252
Base-Backbone interact. energy: -2.054
local terms energy: -51.230915
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -4.828
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: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -78.439458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.439458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.439458 (E_RNA)
where:
Base-Base interactions energy: -23.991
where: short stacking energy: -23.991
Base-Backbone interact. energy: -0.145
local terms energy: -54.303315
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -81.679677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.679677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.679677 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -27.470
Base-Backbone interact. energy: -0.017
local terms energy: -43.365694
where:
bonds (distance) C4'-P energy: -8.375
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -85.993613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.993613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.993613 (E_RNA)
where:
Base-Base interactions energy: -44.817
where: short stacking energy: -27.377
Base-Backbone interact. energy: -0.089
local terms energy: -41.088388
where:
bonds (distance) C4'-P energy: -5.785
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -223.012614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.012614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.012614 (E_RNA)
where:
Base-Base interactions energy: -151.295
where: short stacking energy: -57.883
Base-Backbone interact. energy: -0.241
local terms energy: -71.475820
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -17.032
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: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -207.095011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.095011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.095011 (E_RNA)
where:
Base-Base interactions energy: -137.821
where: short stacking energy: -68.539
Base-Backbone interact. energy: -0.104
local terms energy: -69.170006
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -16.271
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: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -198.328388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.328388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.328388 (E_RNA)
where:
Base-Base interactions energy: -131.823
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.235
local terms energy: -66.271129
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.063
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: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -188.690864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.690864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.690864 (E_RNA)
where:
Base-Base interactions energy: -116.415
where: short stacking energy: -53.952
Base-Backbone interact. energy: -0.132
local terms energy: -72.144035
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -8.899
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: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -160.961333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.961333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.961333 (E_RNA)
where:
Base-Base interactions energy: -101.156
where: short stacking energy: -47.980
Base-Backbone interact. energy: -0.110
local terms energy: -59.695397
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -101.852222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.852222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.852222 (E_RNA)
where:
Base-Base interactions energy: -42.015
where: short stacking energy: -41.569
Base-Backbone interact. energy: -0.028
local terms energy: -59.809236
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -9.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -99.614543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.614543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.614543 (E_RNA)
where:
Base-Base interactions energy: -45.007
where: short stacking energy: -34.097
Base-Backbone interact. energy: -0.088
local terms energy: -54.518913
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -3.614
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: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -91.229090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.229090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.229090 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -34.527
Base-Backbone interact. energy: -0.428
local terms energy: -47.550890
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -73.770089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.770089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.770089 (E_RNA)
where:
Base-Base interactions energy: -22.472
where: short stacking energy: -22.069
Base-Backbone interact. energy: -0.020
local terms energy: -51.277634
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -85.838731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.838731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.838731 (E_RNA)
where:
Base-Base interactions energy: -39.565
where: short stacking energy: -30.237
Base-Backbone interact. energy: 0.939
local terms energy: -47.212720
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -219.160354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.160354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.160354 (E_RNA)
where:
Base-Base interactions energy: -145.311
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.761
local terms energy: -73.088473
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -201.744476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.744476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.744476 (E_RNA)
where:
Base-Base interactions energy: -135.822
where: short stacking energy: -67.985
Base-Backbone interact. energy: 0.409
local terms energy: -66.331862
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -8.581
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: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -194.385947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.385947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.385947 (E_RNA)
where:
Base-Base interactions energy: -124.451
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.031
local terms energy: -69.904094
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -13.456
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: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -186.428646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.428646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.428646 (E_RNA)
where:
Base-Base interactions energy: -116.985
where: short stacking energy: -58.172
Base-Backbone interact. energy: 0.693
local terms energy: -70.136252
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -10.857
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: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -153.274391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.274391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.274391 (E_RNA)
where:
Base-Base interactions energy: -87.596
where: short stacking energy: -50.709
Base-Backbone interact. energy: -0.014
local terms energy: -65.665039
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -100.679626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.679626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.679626 (E_RNA)
where:
Base-Base interactions energy: -39.865
where: short stacking energy: -37.603
Base-Backbone interact. energy: -0.335
local terms energy: -60.478936
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -98.740840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.740840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.740840 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -32.558
Base-Backbone interact. energy: -0.877
local terms energy: -62.702584
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -9.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -100.980717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.980717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.980717 (E_RNA)
where:
Base-Base interactions energy: -42.727
where: short stacking energy: -35.017
Base-Backbone interact. energy: -0.138
local terms energy: -58.115734
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -80.306073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.306073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.306073 (E_RNA)
where:
Base-Base interactions energy: -27.728
where: short stacking energy: -21.194
Base-Backbone interact. energy: -0.154
local terms energy: -52.423946
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -4.394
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: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -85.468517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.468517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.468517 (E_RNA)
where:
Base-Base interactions energy: -40.172
where: short stacking energy: -19.214
Base-Backbone interact. energy: -1.241
local terms energy: -44.055031
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -4.019
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: 0.436
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: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -223.778822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.778822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.778822 (E_RNA)
where:
Base-Base interactions energy: -153.716
where: short stacking energy: -61.687
Base-Backbone interact. energy: -0.239
local terms energy: -69.823630
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -201.522508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.522508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.522508 (E_RNA)
where:
Base-Base interactions energy: -133.505
where: short stacking energy: -57.063
Base-Backbone interact. energy: -0.149
local terms energy: -67.868635
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -189.068999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.068999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.068999 (E_RNA)
where:
Base-Base interactions energy: -122.814
where: short stacking energy: -53.165
Base-Backbone interact. energy: -0.108
local terms energy: -66.146888
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -197.045933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.045933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.045933 (E_RNA)
where:
Base-Base interactions energy: -126.600
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.614
local terms energy: -69.831820
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -140.186462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.186462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.186462 (E_RNA)
where:
Base-Base interactions energy: -88.791
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.118
local terms energy: -51.277335
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -0.612
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -105.182027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.182027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.182027 (E_RNA)
where:
Base-Base interactions energy: -48.776
where: short stacking energy: -40.859
Base-Backbone interact. energy: 1.419
local terms energy: -57.825255
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -4.691
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: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -98.000455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.000455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.000455 (E_RNA)
where:
Base-Base interactions energy: -39.098
where: short stacking energy: -38.803
Base-Backbone interact. energy: -0.083
local terms energy: -58.819252
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -8.915
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: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -77.599367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.599367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.599367 (E_RNA)
where:
Base-Base interactions energy: -27.469
where: short stacking energy: -20.867
Base-Backbone interact. energy: -0.635
local terms energy: -49.495314
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -2.631
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: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -78.284815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.284815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.284815 (E_RNA)
where:
Base-Base interactions energy: -29.318
where: short stacking energy: -29.318
Base-Backbone interact. energy: -0.901
local terms energy: -48.065441
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -107.208626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.208626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.208626 (E_RNA)
where:
Base-Base interactions energy: -59.417
where: short stacking energy: -27.222
Base-Backbone interact. energy: -0.236
local terms energy: -47.555632
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -189.316712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.316712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.316712 (E_RNA)
where:
Base-Base interactions energy: -119.720
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.084
local terms energy: -69.512187
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -216.380943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.380943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.380943 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.533
local terms energy: -73.423464
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.309
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: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -196.779553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.779553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.779553 (E_RNA)
where:
Base-Base interactions energy: -124.692
where: short stacking energy: -52.398
Base-Backbone interact. energy: -0.084
local terms energy: -72.003621
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -15.613
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: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -196.856237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.856237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.856237 (E_RNA)
where:
Base-Base interactions energy: -131.637
where: short stacking energy: -60.500
Base-Backbone interact. energy: -0.002
local terms energy: -65.217462
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -139.496806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.496806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.496806 (E_RNA)
where:
Base-Base interactions energy: -78.322
where: short stacking energy: -49.431
Base-Backbone interact. energy: 0.414
local terms energy: -61.588859
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -108.514921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.514921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.514921 (E_RNA)
where:
Base-Base interactions energy: -47.272
where: short stacking energy: -47.097
Base-Backbone interact. energy: -0.190
local terms energy: -61.052806
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -88.652812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.652812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.652812 (E_RNA)
where:
Base-Base interactions energy: -34.587
where: short stacking energy: -25.562
Base-Backbone interact. energy: -0.178
local terms energy: -53.888041
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -85.671498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.671498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.671498 (E_RNA)
where:
Base-Base interactions energy: -34.951
where: short stacking energy: -33.684
Base-Backbone interact. energy: -0.311
local terms energy: -50.409364
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.163
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: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -87.637223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.637223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.637223 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -30.214
Base-Backbone interact. energy: -0.077
local terms energy: -56.366203
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -79.975771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.975771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.975771 (E_RNA)
where:
Base-Base interactions energy: -39.792
where: short stacking energy: -24.359
Base-Backbone interact. energy: -0.321
local terms energy: -39.862475
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: 0.206
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: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -204.641841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.641841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.641841 (E_RNA)
where:
Base-Base interactions energy: -132.058
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.086
local terms energy: -72.497981
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.341
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: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -210.982998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.982998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.982998 (E_RNA)
where:
Base-Base interactions energy: -147.045
where: short stacking energy: -60.320
Base-Backbone interact. energy: -0.448
local terms energy: -63.490469
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -10.659
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: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -212.240968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.240968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.240968 (E_RNA)
where:
Base-Base interactions energy: -143.981
where: short stacking energy: -68.700
Base-Backbone interact. energy: -0.036
local terms energy: -68.224004
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -7.578
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: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -201.736293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.736293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.736293 (E_RNA)
where:
Base-Base interactions energy: -133.208
where: short stacking energy: -62.503
Base-Backbone interact. energy: -0.451
local terms energy: -68.078066
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -134.798807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.798807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.798807 (E_RNA)
where:
Base-Base interactions energy: -87.083
where: short stacking energy: -44.879
Base-Backbone interact. energy: -1.012
local terms energy: -46.703589
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -108.001941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.001941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.001941 (E_RNA)
where:
Base-Base interactions energy: -50.126
where: short stacking energy: -50.089
Base-Backbone interact. energy: -0.362
local terms energy: -57.514434
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -82.964692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964692 (E_RNA)
where:
Base-Base interactions energy: -28.911
where: short stacking energy: -27.992
Base-Backbone interact. energy: -0.181
local terms energy: -53.872709
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -2.646
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: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -73.869146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.869146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.869146 (E_RNA)
where:
Base-Base interactions energy: -29.467
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.175
local terms energy: -44.227479
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: 2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -74.917658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.917658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.917658 (E_RNA)
where:
Base-Base interactions energy: -28.195
where: short stacking energy: -25.150
Base-Backbone interact. energy: -0.069
local terms energy: -46.653217
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -84.685915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.685915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.685915 (E_RNA)
where:
Base-Base interactions energy: -38.367
where: short stacking energy: -23.036
Base-Backbone interact. energy: -1.882
local terms energy: -44.436712
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -221.478981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.478981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.478981 (E_RNA)
where:
Base-Base interactions energy: -148.505
where: short stacking energy: -69.293
Base-Backbone interact. energy: -0.289
local terms energy: -72.684369
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -10.613
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: 2, replica: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -205.687080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.687080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.687080 (E_RNA)
where:
Base-Base interactions energy: -133.665
where: short stacking energy: -68.440
Base-Backbone interact. energy: 0.212
local terms energy: -72.234128
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -9.616
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: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -201.772634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.772634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.772634 (E_RNA)
where:
Base-Base interactions energy: -129.853
where: short stacking energy: -69.989
Base-Backbone interact. energy: -0.075
local terms energy: -71.844618
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -202.998197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.998197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.998197 (E_RNA)
where:
Base-Base interactions energy: -125.542
where: short stacking energy: -64.556
Base-Backbone interact. energy: -0.031
local terms energy: -77.424578
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -21.880
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: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -150.001238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.001238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.001238 (E_RNA)
where:
Base-Base interactions energy: -87.944
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.370
local terms energy: -61.687696
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -95.615669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.615669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.615669 (E_RNA)
where:
Base-Base interactions energy: -43.249
where: short stacking energy: -29.623
Base-Backbone interact. energy: -0.062
local terms energy: -52.305291
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -3.834
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: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -87.931734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.931734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.931734 (E_RNA)
where:
Base-Base interactions energy: -31.454
where: short stacking energy: -29.656
Base-Backbone interact. energy: -0.184
local terms energy: -56.292970
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -84.644626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.644626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.644626 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -34.351
Base-Backbone interact. energy: -0.136
local terms energy: -49.307635
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -10.840
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: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -76.185882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.185882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.185882 (E_RNA)
where:
Base-Base interactions energy: -35.894
where: short stacking energy: -29.439
Base-Backbone interact. energy: 0.562
local terms energy: -40.854154
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -1.355
tors. eta vs tors. theta energy: 1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -88.037314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.037314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.037314 (E_RNA)
where:
Base-Base interactions energy: -39.820
where: short stacking energy: -36.020
Base-Backbone interact. energy: -0.252
local terms energy: -47.965674
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -222.321346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.321346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.321346 (E_RNA)
where:
Base-Base interactions energy: -143.965
where: short stacking energy: -65.819
Base-Backbone interact. energy: -1.127
local terms energy: -77.229714
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -7.192
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: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -211.817798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.817798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.817798 (E_RNA)
where:
Base-Base interactions energy: -139.254
where: short stacking energy: -62.682
Base-Backbone interact. energy: -0.050
local terms energy: -72.514137
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -8.578
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: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -187.104725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.104725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.104725 (E_RNA)
where:
Base-Base interactions energy: -118.374
where: short stacking energy: -62.027
Base-Backbone interact. energy: -0.004
local terms energy: -68.726490
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -149.940944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.940944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.940944 (E_RNA)
where:
Base-Base interactions energy: -83.601
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.155
local terms energy: -66.185020
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -190.338075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.338075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.338075 (E_RNA)
where:
Base-Base interactions energy: -119.073
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.008
local terms energy: -71.256583
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -6.783
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: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -99.924358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.924358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.924358 (E_RNA)
where:
Base-Base interactions energy: -48.059
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.487
local terms energy: -51.378825
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -96.256664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.256664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.256664 (E_RNA)
where:
Base-Base interactions energy: -48.767
where: short stacking energy: -27.600
Base-Backbone interact. energy: -0.298
local terms energy: -47.191608
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -82.953744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.953744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.953744 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -21.168
Base-Backbone interact. energy: -0.011
local terms energy: -48.858867
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -8.122
flat angles P-C4'-P energy: -9.710
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: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -93.081424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.081424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.081424 (E_RNA)
where:
Base-Base interactions energy: -32.536
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.230
local terms energy: -60.316250
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -4.140
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: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -72.437211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.437211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.437211 (E_RNA)
where:
Base-Base interactions energy: -23.433
where: short stacking energy: -20.851
Base-Backbone interact. energy: -0.105
local terms energy: -48.898821
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -7.288
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: 2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -220.112136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.112136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.112136 (E_RNA)
where:
Base-Base interactions energy: -147.263
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.390
local terms energy: -72.459195
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -204.027899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.027899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.027899 (E_RNA)
where:
Base-Base interactions energy: -134.421
where: short stacking energy: -70.954
Base-Backbone interact. energy: 0.270
local terms energy: -69.876881
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.737
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: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -176.459076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.459076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.459076 (E_RNA)
where:
Base-Base interactions energy: -103.224
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.026
local terms energy: -73.209347
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -192.745392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.745392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.745392 (E_RNA)
where:
Base-Base interactions energy: -128.190
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.011
local terms energy: -64.544271
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -194.744912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.744912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.744912 (E_RNA)
where:
Base-Base interactions energy: -130.368
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.006
local terms energy: -64.371462
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -7.735
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: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -98.363497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.363497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.363497 (E_RNA)
where:
Base-Base interactions energy: -41.437
where: short stacking energy: -37.934
Base-Backbone interact. energy: 0.028
local terms energy: -56.954862
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -100.440519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.440519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.440519 (E_RNA)
where:
Base-Base interactions energy: -38.859
where: short stacking energy: -38.859
Base-Backbone interact. energy: -0.032
local terms energy: -61.550202
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -8.407
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -8.311
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: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -98.116285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.116285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.116285 (E_RNA)
where:
Base-Base interactions energy: -43.240
where: short stacking energy: -33.851
Base-Backbone interact. energy: -0.149
local terms energy: -54.726813
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -93.795440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795440 (E_RNA)
where:
Base-Base interactions energy: -39.414
where: short stacking energy: -36.893
Base-Backbone interact. energy: -1.098
local terms energy: -53.284019
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -5.860
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: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -90.444177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.444177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.444177 (E_RNA)
where:
Base-Base interactions energy: -42.734
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.005
local terms energy: -47.705120
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -2.202
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -221.131995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.131995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.131995 (E_RNA)
where:
Base-Base interactions energy: -143.468
where: short stacking energy: -66.057
Base-Backbone interact. energy: 1.658
local terms energy: -79.322482
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -202.983193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.983193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.983193 (E_RNA)
where:
Base-Base interactions energy: -126.973
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.010
local terms energy: -76.000841
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -11.712
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: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -177.946409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.946409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.946409 (E_RNA)
where:
Base-Base interactions energy: -113.174
where: short stacking energy: -59.055
Base-Backbone interact. energy: -0.003
local terms energy: -64.769969
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -11.964
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: 4, replica: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -198.539260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.539260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.539260 (E_RNA)
where:
Base-Base interactions energy: -130.001
where: short stacking energy: -52.349
Base-Backbone interact. energy: -0.042
local terms energy: -68.495674
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -14.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -190.753219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.753219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.753219 (E_RNA)
where:
Base-Base interactions energy: -125.658
where: short stacking energy: -50.923
Base-Backbone interact. energy: -0.179
local terms energy: -64.915564
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -121.996510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.996510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.996510 (E_RNA)
where:
Base-Base interactions energy: -66.516
where: short stacking energy: -32.763
Base-Backbone interact. energy: -0.427
local terms energy: -55.052945
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -103.399849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.399849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.399849 (E_RNA)
where:
Base-Base interactions energy: -51.577
where: short stacking energy: -35.214
Base-Backbone interact. energy: -0.789
local terms energy: -51.034810
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -7.649
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: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -100.910139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.910139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.910139 (E_RNA)
where:
Base-Base interactions energy: -42.659
where: short stacking energy: -34.273
Base-Backbone interact. energy: -0.075
local terms energy: -58.176261
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -10.139
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: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -74.889646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.889646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.889646 (E_RNA)
where:
Base-Base interactions energy: -34.663
where: short stacking energy: -27.467
Base-Backbone interact. energy: -0.291
local terms energy: -39.936334
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: 0.109
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: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -77.788625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.788625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.788625 (E_RNA)
where:
Base-Base interactions energy: -37.549
where: short stacking energy: -37.549
Base-Backbone interact. energy: -0.005
local terms energy: -40.234594
where:
bonds (distance) C4'-P energy: -2.498
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -9.538
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: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -222.376599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.376599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.376599 (E_RNA)
where:
Base-Base interactions energy: -156.950
where: short stacking energy: -62.711
Base-Backbone interact. energy: -0.454
local terms energy: -64.972165
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -195.350191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.350191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.350191 (E_RNA)
where:
Base-Base interactions energy: -126.477
where: short stacking energy: -53.016
Base-Backbone interact. energy: -0.538
local terms energy: -68.335192
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -13.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -194.675871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.675871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.675871 (E_RNA)
where:
Base-Base interactions energy: -127.010
where: short stacking energy: -61.142
Base-Backbone interact. energy: -0.013
local terms energy: -67.653376
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -163.725064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.725064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.725064 (E_RNA)
where:
Base-Base interactions energy: -99.730
where: short stacking energy: -52.547
Base-Backbone interact. energy: 0.303
local terms energy: -64.298352
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -199.529965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.529965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.529965 (E_RNA)
where:
Base-Base interactions energy: -130.797
where: short stacking energy: -57.773
Base-Backbone interact. energy: -0.126
local terms energy: -68.607312
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -11.202
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -157.727308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.727308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.727308 (E_RNA)
where:
Base-Base interactions energy: -95.337
where: short stacking energy: -49.383
Base-Backbone interact. energy: -0.032
local terms energy: -62.358427
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -102.463634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.463634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.463634 (E_RNA)
where:
Base-Base interactions energy: -59.639
where: short stacking energy: -23.556
Base-Backbone interact. energy: -0.325
local terms energy: -42.499169
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -2.114
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -94.252785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.252785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.252785 (E_RNA)
where:
Base-Base interactions energy: -55.648
where: short stacking energy: -32.338
Base-Backbone interact. energy: -0.195
local terms energy: -38.409104
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -5.490
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -105.663321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.663321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.663321 (E_RNA)
where:
Base-Base interactions energy: -57.981
where: short stacking energy: -30.875
Base-Backbone interact. energy: 0.000
local terms energy: -47.682880
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -83.296154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.296154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.296154 (E_RNA)
where:
Base-Base interactions energy: -35.957
where: short stacking energy: -16.073
Base-Backbone interact. energy: -0.391
local terms energy: -46.948448
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -4.822
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -223.758552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.758552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.758552 (E_RNA)
where:
Base-Base interactions energy: -154.973
where: short stacking energy: -62.785
Base-Backbone interact. energy: -0.556
local terms energy: -68.230004
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -203.437573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.437573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.437573 (E_RNA)
where:
Base-Base interactions energy: -131.521
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.132
local terms energy: -71.784750
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -16.609
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: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -196.479725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.479725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.479725 (E_RNA)
where:
Base-Base interactions energy: -123.880
where: short stacking energy: -62.395
Base-Backbone interact. energy: 2.205
local terms energy: -74.804963
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -11.838
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: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -195.298712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.298712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.298712 (E_RNA)
where:
Base-Base interactions energy: -129.927
where: short stacking energy: -61.477
Base-Backbone interact. energy: -0.022
local terms energy: -65.349781
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -14.588
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: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -167.303768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.303768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.303768 (E_RNA)
where:
Base-Base interactions energy: -104.620
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.348
local terms energy: -62.335562
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -178.490161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.490161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.490161 (E_RNA)
where:
Base-Base interactions energy: -107.764
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.161
local terms energy: -70.565228
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -111.242778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.242778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.242778 (E_RNA)
where:
Base-Base interactions energy: -59.169
where: short stacking energy: -43.844
Base-Backbone interact. energy: -0.107
local terms energy: -51.966333
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -7.237
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -7.771
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: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -84.848426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.848426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.848426 (E_RNA)
where:
Base-Base interactions energy: -37.431
where: short stacking energy: -26.642
Base-Backbone interact. energy: -0.076
local terms energy: -47.341669
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -101.817840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.817840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.817840 (E_RNA)
where:
Base-Base interactions energy: -50.323
where: short stacking energy: -45.778
Base-Backbone interact. energy: -0.010
local terms energy: -51.485516
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -10.871
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: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -77.881754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.881754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.881754 (E_RNA)
where:
Base-Base interactions energy: -33.792
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.145
local terms energy: -43.944922
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: 1.339
tors. eta vs tors. theta energy: -5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -225.436258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.436258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.436258 (E_RNA)
where:
Base-Base interactions energy: -156.453
where: short stacking energy: -56.512
Base-Backbone interact. energy: 0.490
local terms energy: -69.473620
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -194.253161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.253161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.253161 (E_RNA)
where:
Base-Base interactions energy: -123.946
where: short stacking energy: -61.206
Base-Backbone interact. energy: -0.255
local terms energy: -70.051963
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -18.837
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: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -188.588269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.588269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.588269 (E_RNA)
where:
Base-Base interactions energy: -119.491
where: short stacking energy: -58.294
Base-Backbone interact. energy: -0.039
local terms energy: -69.058199
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -199.445010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.445010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.445010 (E_RNA)
where:
Base-Base interactions energy: -131.948
where: short stacking energy: -74.364
Base-Backbone interact. energy: -0.150
local terms energy: -67.346540
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -8.673
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: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -182.981378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.981378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.981378 (E_RNA)
where:
Base-Base interactions energy: -118.069
where: short stacking energy: -50.005
Base-Backbone interact. energy: -0.033
local terms energy: -64.878996
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -151.851195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.851195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.851195 (E_RNA)
where:
Base-Base interactions energy: -92.751
where: short stacking energy: -48.060
Base-Backbone interact. energy: -0.006
local terms energy: -59.093216
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -96.596133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.596133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.596133 (E_RNA)
where:
Base-Base interactions energy: -35.351
where: short stacking energy: -28.427
Base-Backbone interact. energy: -1.061
local terms energy: -60.184879
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -99.492091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.492091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.492091 (E_RNA)
where:
Base-Base interactions energy: -42.781
where: short stacking energy: -27.865
Base-Backbone interact. energy: -0.048
local terms energy: -56.662583
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -77.515446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.515446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.515446 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -31.884
Base-Backbone interact. energy: 4.316
local terms energy: -47.161558
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -2.577
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: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -76.948031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.948031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.948031 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -19.920
Base-Backbone interact. energy: -0.236
local terms energy: -41.494437
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: 2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -215.389560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.389560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.389560 (E_RNA)
where:
Base-Base interactions energy: -142.999
where: short stacking energy: -64.788
Base-Backbone interact. energy: -0.408
local terms energy: -71.982771
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -16.291
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: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -200.651673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.651673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.651673 (E_RNA)
where:
Base-Base interactions energy: -136.187
where: short stacking energy: -52.628
Base-Backbone interact. energy: -0.665
local terms energy: -63.799745
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -10.468
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: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -197.037132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.037132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.037132 (E_RNA)
where:
Base-Base interactions energy: -125.473
where: short stacking energy: -56.020
Base-Backbone interact. energy: -0.619
local terms energy: -70.945142
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -15.981
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: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -196.068096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.068096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.068096 (E_RNA)
where:
Base-Base interactions energy: -124.799
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.087
local terms energy: -71.181404
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -183.173826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.173826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.173826 (E_RNA)
where:
Base-Base interactions energy: -118.666
where: short stacking energy: -58.570
Base-Backbone interact. energy: 1.185
local terms energy: -65.692995
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -137.505386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.505386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.505386 (E_RNA)
where:
Base-Base interactions energy: -84.098
where: short stacking energy: -36.919
Base-Backbone interact. energy: -0.005
local terms energy: -53.401817
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.337
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: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -99.216436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.216436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.216436 (E_RNA)
where:
Base-Base interactions energy: -51.221
where: short stacking energy: -28.305
Base-Backbone interact. energy: 0.572
local terms energy: -48.567184
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -6.729
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -80.924875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.924875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.924875 (E_RNA)
where:
Base-Base interactions energy: -36.310
where: short stacking energy: -21.361
Base-Backbone interact. energy: -0.041
local terms energy: -44.573879
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -117.434573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.434573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.434573 (E_RNA)
where:
Base-Base interactions energy: -70.205
where: short stacking energy: -31.737
Base-Backbone interact. energy: -0.456
local terms energy: -46.773360
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -80.117544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.117544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.117544 (E_RNA)
where:
Base-Base interactions energy: -44.025
where: short stacking energy: -32.122
Base-Backbone interact. energy: 0.074
local terms energy: -36.166311
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -5.948
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -212.787896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.787896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.787896 (E_RNA)
where:
Base-Base interactions energy: -142.507
where: short stacking energy: -58.377
Base-Backbone interact. energy: -0.228
local terms energy: -70.052910
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -212.519927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.519927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.519927 (E_RNA)
where:
Base-Base interactions energy: -147.035
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.417
local terms energy: -65.067552
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -198.383944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.383944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.383944 (E_RNA)
where:
Base-Base interactions energy: -127.096
where: short stacking energy: -69.859
Base-Backbone interact. energy: -0.002
local terms energy: -71.285756
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -5.404
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: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -189.543777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.543777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.543777 (E_RNA)
where:
Base-Base interactions energy: -119.274
where: short stacking energy: -61.683
Base-Backbone interact. energy: -0.029
local terms energy: -70.241141
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -10.099
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: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -188.276807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.276807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.276807 (E_RNA)
where:
Base-Base interactions energy: -119.910
where: short stacking energy: -63.293
Base-Backbone interact. energy: -0.018
local terms energy: -68.348651
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -15.143
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: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -144.935082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.935082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.935082 (E_RNA)
where:
Base-Base interactions energy: -93.917
where: short stacking energy: -46.070
Base-Backbone interact. energy: -0.060
local terms energy: -50.957535
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -3.207
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: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -94.634182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.634182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.634182 (E_RNA)
where:
Base-Base interactions energy: -40.187
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.062
local terms energy: -54.385593
where:
bonds (distance) C4'-P energy: -7.857
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -93.837202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.837202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.837202 (E_RNA)
where:
Base-Base interactions energy: -35.048
where: short stacking energy: -35.648
Base-Backbone interact. energy: -0.056
local terms energy: -58.733754
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -108.088203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.088203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.088203 (E_RNA)
where:
Base-Base interactions energy: -61.587
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.704
local terms energy: -45.797354
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -75.220519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.220519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.220519 (E_RNA)
where:
Base-Base interactions energy: -24.450
where: short stacking energy: -17.119
Base-Backbone interact. energy: -0.384
local terms energy: -50.386968
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: 2.062
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: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -207.800045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.800045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.800045 (E_RNA)
where:
Base-Base interactions energy: -142.348
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.105
local terms energy: -65.347522
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -214.989960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.989960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.989960 (E_RNA)
where:
Base-Base interactions energy: -137.684
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.196
local terms energy: -77.110381
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -198.716257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.716257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.716257 (E_RNA)
where:
Base-Base interactions energy: -134.406
where: short stacking energy: -60.470
Base-Backbone interact. energy: -0.131
local terms energy: -64.179009
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -15.239
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: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -191.232633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.232633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.232633 (E_RNA)
where:
Base-Base interactions energy: -133.368
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.207
local terms energy: -57.657496
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -12.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -186.130159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.130159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.130159 (E_RNA)
where:
Base-Base interactions energy: -122.604
where: short stacking energy: -56.666
Base-Backbone interact. energy: 1.869
local terms energy: -65.395115
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -140.612922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.612922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.612922 (E_RNA)
where:
Base-Base interactions energy: -82.390
where: short stacking energy: -48.562
Base-Backbone interact. energy: -0.396
local terms energy: -57.827035
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -135.220137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.220137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.220137 (E_RNA)
where:
Base-Base interactions energy: -84.795
where: short stacking energy: -35.860
Base-Backbone interact. energy: 1.662
local terms energy: -52.086978
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -2.853
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: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -132.947478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.947478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.947478 (E_RNA)
where:
Base-Base interactions energy: -71.965
where: short stacking energy: -45.103
Base-Backbone interact. energy: -0.063
local terms energy: -60.919235
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -80.695302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.695302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.695302 (E_RNA)
where:
Base-Base interactions energy: -31.885
where: short stacking energy: -27.164
Base-Backbone interact. energy: -0.041
local terms energy: -48.769176
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -79.595414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.595414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.595414 (E_RNA)
where:
Base-Base interactions energy: -20.737
where: short stacking energy: -18.063
Base-Backbone interact. energy: -0.183
local terms energy: -58.675501
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -1.307
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: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -208.931473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.931473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.931473 (E_RNA)
where:
Base-Base interactions energy: -141.762
where: short stacking energy: -58.668
Base-Backbone interact. energy: -0.012
local terms energy: -67.157697
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -212.856254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.856254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.856254 (E_RNA)
where:
Base-Base interactions energy: -149.693
where: short stacking energy: -66.234
Base-Backbone interact. energy: -0.111
local terms energy: -63.052250
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -200.431266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.431266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.431266 (E_RNA)
where:
Base-Base interactions energy: -123.126
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.000
local terms energy: -77.305035
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -191.846714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.846714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.846714 (E_RNA)
where:
Base-Base interactions energy: -126.690
where: short stacking energy: -64.228
Base-Backbone interact. energy: -0.039
local terms energy: -65.117957
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -148.428448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.428448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.428448 (E_RNA)
where:
Base-Base interactions energy: -91.780
where: short stacking energy: -54.894
Base-Backbone interact. energy: -0.077
local terms energy: -56.571318
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -12.964
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: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -186.065965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.065965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.065965 (E_RNA)
where:
Base-Base interactions energy: -114.076
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.725
local terms energy: -71.264947
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -124.452444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.452444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.452444 (E_RNA)
where:
Base-Base interactions energy: -61.740
where: short stacking energy: -33.603
Base-Backbone interact. energy: -0.165
local terms energy: -62.548358
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -122.337082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.337082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.337082 (E_RNA)
where:
Base-Base interactions energy: -76.153
where: short stacking energy: -35.132
Base-Backbone interact. energy: 1.166
local terms energy: -47.349495
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: 0.506
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: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -81.977625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.977625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.977625 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -26.034
Base-Backbone interact. energy: 0.830
local terms energy: -42.513414
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: 0.192
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: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -83.795251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.795251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.795251 (E_RNA)
where:
Base-Base interactions energy: -31.957
where: short stacking energy: -29.800
Base-Backbone interact. energy: 0.640
local terms energy: -52.477803
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -1.612
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: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -209.631097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.631097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.631097 (E_RNA)
where:
Base-Base interactions energy: -135.543
where: short stacking energy: -60.352
Base-Backbone interact. energy: -0.063
local terms energy: -74.024930
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -201.279851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.279851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.279851 (E_RNA)
where:
Base-Base interactions energy: -128.880
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.066
local terms energy: -72.333922
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -213.048733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.048733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.048733 (E_RNA)
where:
Base-Base interactions energy: -145.477
where: short stacking energy: -56.162
Base-Backbone interact. energy: -0.281
local terms energy: -67.291613
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -148.464278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.464278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.464278 (E_RNA)
where:
Base-Base interactions energy: -81.946
where: short stacking energy: -53.186
Base-Backbone interact. energy: -0.003
local terms energy: -66.515778
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -183.265457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.265457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.265457 (E_RNA)
where:
Base-Base interactions energy: -121.317
where: short stacking energy: -59.238
Base-Backbone interact. energy: -0.115
local terms energy: -61.833404
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -178.330265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.330265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.330265 (E_RNA)
where:
Base-Base interactions energy: -112.284
where: short stacking energy: -62.852
Base-Backbone interact. energy: -0.002
local terms energy: -66.045015
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -125.158552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.158552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.158552 (E_RNA)
where:
Base-Base interactions energy: -63.716
where: short stacking energy: -35.687
Base-Backbone interact. energy: -0.318
local terms energy: -61.124844
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -3.638
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: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -125.639971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.639971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.639971 (E_RNA)
where:
Base-Base interactions energy: -75.949
where: short stacking energy: -38.230
Base-Backbone interact. energy: -0.557
local terms energy: -49.134454
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -81.130279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.130279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.130279 (E_RNA)
where:
Base-Base interactions energy: -25.991
where: short stacking energy: -24.469
Base-Backbone interact. energy: -0.104
local terms energy: -55.034933
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -2.143
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: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -79.128217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.128217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.128217 (E_RNA)
where:
Base-Base interactions energy: -24.729
where: short stacking energy: -24.729
Base-Backbone interact. energy: 1.388
local terms energy: -55.788177
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -213.820293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.820293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.820293 (E_RNA)
where:
Base-Base interactions energy: -142.189
where: short stacking energy: -66.295
Base-Backbone interact. energy: -0.004
local terms energy: -71.626602
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -203.136886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.136886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.136886 (E_RNA)
where:
Base-Base interactions energy: -133.588
where: short stacking energy: -68.412
Base-Backbone interact. energy: -0.022
local terms energy: -69.527504
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -9.416
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: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -206.681604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.681604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.681604 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -50.803
Base-Backbone interact. energy: -0.991
local terms energy: -64.833573
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -13.824
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: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -163.070013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.070013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.070013 (E_RNA)
where:
Base-Base interactions energy: -95.661
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.091
local terms energy: -67.318365
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -14.588
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: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -180.819451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.819451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.819451 (E_RNA)
where:
Base-Base interactions energy: -123.942
where: short stacking energy: -47.674
Base-Backbone interact. energy: -0.060
local terms energy: -56.817433
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -6.700
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: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -180.357203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.357203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.357203 (E_RNA)
where:
Base-Base interactions energy: -125.279
where: short stacking energy: -41.399
Base-Backbone interact. energy: -0.246
local terms energy: -54.832011
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -127.938638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.938638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.938638 (E_RNA)
where:
Base-Base interactions energy: -75.200
where: short stacking energy: -40.541
Base-Backbone interact. energy: 0.270
local terms energy: -53.008243
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -6.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -89.346589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.346589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.346589 (E_RNA)
where:
Base-Base interactions energy: -35.466
where: short stacking energy: -32.465
Base-Backbone interact. energy: -0.399
local terms energy: -53.482088
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -2.225
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: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -81.053262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.053262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.053262 (E_RNA)
where:
Base-Base interactions energy: -31.612
where: short stacking energy: -28.056
Base-Backbone interact. energy: -1.240
local terms energy: -48.201625
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -79.180290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.180290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.180290 (E_RNA)
where:
Base-Base interactions energy: -30.929
where: short stacking energy: -30.929
Base-Backbone interact. energy: -0.095
local terms energy: -48.155969
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -2.321
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: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -193.692938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.692938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.692938 (E_RNA)
where:
Base-Base interactions energy: -124.564
where: short stacking energy: -51.572
Base-Backbone interact. energy: -0.701
local terms energy: -68.427364
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -218.488715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.488715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.488715 (E_RNA)
where:
Base-Base interactions energy: -146.890
where: short stacking energy: -65.089
Base-Backbone interact. energy: -0.684
local terms energy: -70.914368
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -196.587487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.587487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.587487 (E_RNA)
where:
Base-Base interactions energy: -122.452
where: short stacking energy: -59.944
Base-Backbone interact. energy: -0.241
local terms energy: -73.894335
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -8.839
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: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -197.041133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.041133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.041133 (E_RNA)
where:
Base-Base interactions energy: -129.858
where: short stacking energy: -54.541
Base-Backbone interact. energy: -0.120
local terms energy: -67.063409
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -12.082
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: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -142.083037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.083037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.083037 (E_RNA)
where:
Base-Base interactions energy: -87.832
where: short stacking energy: -44.836
Base-Backbone interact. energy: 0.320
local terms energy: -54.571119
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -185.797191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.797191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.797191 (E_RNA)
where:
Base-Base interactions energy: -126.170
where: short stacking energy: -49.292
Base-Backbone interact. energy: -0.233
local terms energy: -59.393648
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -120.845400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.845400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.845400 (E_RNA)
where:
Base-Base interactions energy: -73.546
where: short stacking energy: -33.639
Base-Backbone interact. energy: -0.232
local terms energy: -47.067394
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: 3.212
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: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -91.437353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.437353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.437353 (E_RNA)
where:
Base-Base interactions energy: -44.880
where: short stacking energy: -44.739
Base-Backbone interact. energy: 0.686
local terms energy: -47.244085
where:
bonds (distance) C4'-P energy: -4.637
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -10.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -91.488342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.488342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.488342 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -26.909
Base-Backbone interact. energy: -0.166
local terms energy: -57.836581
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -8.529
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: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -88.466050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.466050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.466050 (E_RNA)
where:
Base-Base interactions energy: -38.228
where: short stacking energy: -30.862
Base-Backbone interact. energy: -0.520
local terms energy: -49.718349
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -218.610881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.610881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.610881 (E_RNA)
where:
Base-Base interactions energy: -142.896
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.258
local terms energy: -75.457640
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -12.711
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: 2, replica: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -185.115754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.115754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.115754 (E_RNA)
where:
Base-Base interactions energy: -116.241
where: short stacking energy: -59.612
Base-Backbone interact. energy: 0.480
local terms energy: -69.354388
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -199.800172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.800172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.800172 (E_RNA)
where:
Base-Base interactions energy: -127.403
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.123
local terms energy: -72.274214
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -186.556637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.556637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.556637 (E_RNA)
where:
Base-Base interactions energy: -115.006
where: short stacking energy: -62.825
Base-Backbone interact. energy: -0.093
local terms energy: -71.457718
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -172.006602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.006602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.006602 (E_RNA)
where:
Base-Base interactions energy: -115.596
where: short stacking energy: -52.470
Base-Backbone interact. energy: -0.264
local terms energy: -56.146952
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.504
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: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -159.919939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.919939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.919939 (E_RNA)
where:
Base-Base interactions energy: -89.213
where: short stacking energy: -43.981
Base-Backbone interact. energy: -0.041
local terms energy: -70.666219
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -95.491800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.491800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.491800 (E_RNA)
where:
Base-Base interactions energy: -45.231
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.620
local terms energy: -49.640981
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -3.804
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: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -128.570835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.570835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.570835 (E_RNA)
where:
Base-Base interactions energy: -69.303
where: short stacking energy: -35.720
Base-Backbone interact. energy: -0.583
local terms energy: -58.684711
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -5.016
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: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -80.102107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.102107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.102107 (E_RNA)
where:
Base-Base interactions energy: -37.700
where: short stacking energy: -32.504
Base-Backbone interact. energy: -0.135
local terms energy: -42.267485
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -2.654
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: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -75.574999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.574999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.574999 (E_RNA)
where:
Base-Base interactions energy: -31.241
where: short stacking energy: -23.327
Base-Backbone interact. energy: 1.749
local terms energy: -46.083434
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -223.677587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.677587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.677587 (E_RNA)
where:
Base-Base interactions energy: -143.682
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.338
local terms energy: -79.658327
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -209.048215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.048215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.048215 (E_RNA)
where:
Base-Base interactions energy: -134.743
where: short stacking energy: -67.702
Base-Backbone interact. energy: -0.208
local terms energy: -74.096648
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -193.212885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.212885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.212885 (E_RNA)
where:
Base-Base interactions energy: -125.447
where: short stacking energy: -56.566
Base-Backbone interact. energy: 0.423
local terms energy: -68.189124
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -171.963442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.963442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.963442 (E_RNA)
where:
Base-Base interactions energy: -105.305
where: short stacking energy: -49.550
Base-Backbone interact. energy: -0.059
local terms energy: -66.598654
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -13.000
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: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -187.735411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.735411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.735411 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.001
local terms energy: -73.811391
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.829
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: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -117.407249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.407249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.407249 (E_RNA)
where:
Base-Base interactions energy: -57.039
where: short stacking energy: -36.358
Base-Backbone interact. energy: -0.800
local terms energy: -59.568027
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -153.106153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.106153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.106153 (E_RNA)
where:
Base-Base interactions energy: -87.564
where: short stacking energy: -47.478
Base-Backbone interact. energy: -0.100
local terms energy: -65.441576
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -94.584235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.584235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.584235 (E_RNA)
where:
Base-Base interactions energy: -38.546
where: short stacking energy: -28.643
Base-Backbone interact. energy: 0.189
local terms energy: -56.227788
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -124.680893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.680893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.680893 (E_RNA)
where:
Base-Base interactions energy: -83.445
where: short stacking energy: -42.640
Base-Backbone interact. energy: -0.536
local terms energy: -40.699864
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -83.760322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.760322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.760322 (E_RNA)
where:
Base-Base interactions energy: -35.537
where: short stacking energy: -20.764
Base-Backbone interact. energy: -0.145
local terms energy: -48.078796
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -217.948909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.948909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.948909 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -68.118
Base-Backbone interact. energy: 0.220
local terms energy: -72.939261
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -202.436482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.436482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.436482 (E_RNA)
where:
Base-Base interactions energy: -127.682
where: short stacking energy: -66.623
Base-Backbone interact. energy: 0.062
local terms energy: -74.816686
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -8.470
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: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -197.565759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.565759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.565759 (E_RNA)
where:
Base-Base interactions energy: -126.731
where: short stacking energy: -56.353
Base-Backbone interact. energy: -0.151
local terms energy: -70.683191
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -13.884
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: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -185.795532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.795532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.795532 (E_RNA)
where:
Base-Base interactions energy: -117.214
where: short stacking energy: -56.916
Base-Backbone interact. energy: -0.011
local terms energy: -68.570349
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -11.588
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: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -183.454349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.454349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.454349 (E_RNA)
where:
Base-Base interactions energy: -116.507
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.000
local terms energy: -66.946936
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -16.733
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: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -93.084524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.084524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.084524 (E_RNA)
where:
Base-Base interactions energy: -42.396
where: short stacking energy: -33.821
Base-Backbone interact. energy: 1.233
local terms energy: -51.921455
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -91.495958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.495958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.495958 (E_RNA)
where:
Base-Base interactions energy: -29.349
where: short stacking energy: -24.337
Base-Backbone interact. energy: -0.043
local terms energy: -62.104094
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -121.527626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.527626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.527626 (E_RNA)
where:
Base-Base interactions energy: -78.140
where: short stacking energy: -38.977
Base-Backbone interact. energy: 1.782
local terms energy: -45.169394
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -2.097
tors. eta vs tors. theta energy: -4.545
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: 62
Temperature: 1.300000
Total energy: -82.874526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.874526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.874526 (E_RNA)
where:
Base-Base interactions energy: -28.840
where: short stacking energy: -24.931
Base-Backbone interact. energy: 1.273
local terms energy: -55.307901
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -91.181933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.181933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.181933 (E_RNA)
where:
Base-Base interactions energy: -49.014
where: short stacking energy: -18.760
Base-Backbone interact. energy: -0.543
local terms energy: -41.624745
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -1.357
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -230.257887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.257887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.257887 (E_RNA)
where:
Base-Base interactions energy: -152.152
where: short stacking energy: -68.018
Base-Backbone interact. energy: -0.598
local terms energy: -77.507919
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -201.853585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.853585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.853585 (E_RNA)
where:
Base-Base interactions energy: -125.967
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.175
local terms energy: -75.712061
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -17.811
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: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -189.137485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.137485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.137485 (E_RNA)
where:
Base-Base interactions energy: -123.220
where: short stacking energy: -63.731
Base-Backbone interact. energy: 1.018
local terms energy: -66.935026
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -12.577
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: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -187.103671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.103671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.103671 (E_RNA)
where:
Base-Base interactions energy: -116.851
where: short stacking energy: -54.610
Base-Backbone interact. energy: -0.595
local terms energy: -69.657700
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -182.174212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.174212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.174212 (E_RNA)
where:
Base-Base interactions energy: -120.602
where: short stacking energy: -58.809
Base-Backbone interact. energy: -0.055
local terms energy: -61.516914
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -95.205091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.205091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.205091 (E_RNA)
where:
Base-Base interactions energy: -39.576
where: short stacking energy: -38.593
Base-Backbone interact. energy: -0.008
local terms energy: -55.621182
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -5.792
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: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -103.555106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.555106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.555106 (E_RNA)
where:
Base-Base interactions energy: -54.042
where: short stacking energy: -52.622
Base-Backbone interact. energy: -0.036
local terms energy: -49.476893
where:
bonds (distance) C4'-P energy: -7.304
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -7.808
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: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -98.770896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.770896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.770896 (E_RNA)
where:
Base-Base interactions energy: -38.720
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.023
local terms energy: -60.028125
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -9.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -83.472836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.472836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.472836 (E_RNA)
where:
Base-Base interactions energy: -33.161
where: short stacking energy: -27.049
Base-Backbone interact. energy: -0.340
local terms energy: -49.972676
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -77.276662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.276662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.276662 (E_RNA)
where:
Base-Base interactions energy: -32.487
where: short stacking energy: -20.032
Base-Backbone interact. energy: -0.220
local terms energy: -44.568913
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -218.432868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.432868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.432868 (E_RNA)
where:
Base-Base interactions energy: -144.066
where: short stacking energy: -58.667
Base-Backbone interact. energy: -0.566
local terms energy: -73.800145
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -188.434539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.434539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.434539 (E_RNA)
where:
Base-Base interactions energy: -132.084
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.197
local terms energy: -56.153573
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -197.295483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.295483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.295483 (E_RNA)
where:
Base-Base interactions energy: -136.311
where: short stacking energy: -56.137
Base-Backbone interact. energy: -1.351
local terms energy: -59.632929
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -15.879
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: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -182.774365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.774365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.774365 (E_RNA)
where:
Base-Base interactions energy: -118.158
where: short stacking energy: -55.224
Base-Backbone interact. energy: -0.124
local terms energy: -64.492325
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -184.252393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.252393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.252393 (E_RNA)
where:
Base-Base interactions energy: -113.956
where: short stacking energy: -50.069
Base-Backbone interact. energy: -0.131
local terms energy: -70.164853
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -111.185108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.185108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.185108 (E_RNA)
where:
Base-Base interactions energy: -61.970
where: short stacking energy: -35.658
Base-Backbone interact. energy: 0.421
local terms energy: -49.636873
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -4.630
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -10.121
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: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -115.810942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.810942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.810942 (E_RNA)
where:
Base-Base interactions energy: -50.925
where: short stacking energy: -41.920
Base-Backbone interact. energy: -0.005
local terms energy: -64.881448
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -11.514
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: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -127.522597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.522597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.522597 (E_RNA)
where:
Base-Base interactions energy: -72.065
where: short stacking energy: -42.455
Base-Backbone interact. energy: -0.337
local terms energy: -55.120743
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -78.512710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.512710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.512710 (E_RNA)
where:
Base-Base interactions energy: -30.592
where: short stacking energy: -27.715
Base-Backbone interact. energy: -0.091
local terms energy: -47.830305
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: 0.150
tors. eta vs tors. theta energy: -4.566
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: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -81.994780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.994780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.994780 (E_RNA)
where:
Base-Base interactions energy: -40.239
where: short stacking energy: -21.210
Base-Backbone interact. energy: 1.627
local terms energy: -43.382871
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -0.359
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: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -221.663025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.663025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.663025 (E_RNA)
where:
Base-Base interactions energy: -143.991
where: short stacking energy: -71.068
Base-Backbone interact. energy: -0.635
local terms energy: -77.036955
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -204.364837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.364837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.364837 (E_RNA)
where:
Base-Base interactions energy: -129.253
where: short stacking energy: -66.855
Base-Backbone interact. energy: -0.008
local terms energy: -75.103634
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.529
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: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -204.355728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.355728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.355728 (E_RNA)
where:
Base-Base interactions energy: -133.152
where: short stacking energy: -69.265
Base-Backbone interact. energy: -0.385
local terms energy: -70.818484
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -18.219
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: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -182.442966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.442966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.442966 (E_RNA)
where:
Base-Base interactions energy: -119.925
where: short stacking energy: -52.591
Base-Backbone interact. energy: -0.066
local terms energy: -62.451897
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -9.900
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: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -188.354656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.354656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.354656 (E_RNA)
where:
Base-Base interactions energy: -121.679
where: short stacking energy: -52.590
Base-Backbone interact. energy: -0.036
local terms energy: -66.640248
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -13.631
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: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -126.314936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.314936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.314936 (E_RNA)
where:
Base-Base interactions energy: -75.010
where: short stacking energy: -40.917
Base-Backbone interact. energy: 0.400
local terms energy: -51.704362
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -107.274056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.274056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.274056 (E_RNA)
where:
Base-Base interactions energy: -57.265
where: short stacking energy: -27.173
Base-Backbone interact. energy: 1.338
local terms energy: -51.346682
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -103.347253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.347253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.347253 (E_RNA)
where:
Base-Base interactions energy: -56.604
where: short stacking energy: -46.500
Base-Backbone interact. energy: -0.089
local terms energy: -46.654462
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -116.813185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.813185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.813185 (E_RNA)
where:
Base-Base interactions energy: -78.511
where: short stacking energy: -25.533
Base-Backbone interact. energy: -0.109
local terms energy: -38.192655
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: 3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -68.438739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.438739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.438739 (E_RNA)
where:
Base-Base interactions energy: -18.973
where: short stacking energy: -15.043
Base-Backbone interact. energy: -0.130
local terms energy: -49.334972
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -209.375636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.375636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.375636 (E_RNA)
where:
Base-Base interactions energy: -141.756
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.006
local terms energy: -67.613312
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -209.590460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.590460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.590460 (E_RNA)
where:
Base-Base interactions energy: -131.735
where: short stacking energy: -60.371
Base-Backbone interact. energy: -0.953
local terms energy: -76.902799
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -211.244309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.244309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.244309 (E_RNA)
where:
Base-Base interactions energy: -140.730
where: short stacking energy: -62.474
Base-Backbone interact. energy: -0.086
local terms energy: -70.428739
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -188.836761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.836761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.836761 (E_RNA)
where:
Base-Base interactions energy: -121.701
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.113
local terms energy: -67.022780
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -177.597527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.597527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.597527 (E_RNA)
where:
Base-Base interactions energy: -116.947
where: short stacking energy: -57.057
Base-Backbone interact. energy: -0.478
local terms energy: -60.172872
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -102.291064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.291064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.291064 (E_RNA)
where:
Base-Base interactions energy: -41.885
where: short stacking energy: -39.191
Base-Backbone interact. energy: -0.030
local terms energy: -60.376853
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -121.206057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.206057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.206057 (E_RNA)
where:
Base-Base interactions energy: -73.703
where: short stacking energy: -29.635
Base-Backbone interact. energy: 0.169
local terms energy: -47.672406
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -93.891625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.891625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.891625 (E_RNA)
where:
Base-Base interactions energy: -40.912
where: short stacking energy: -28.260
Base-Backbone interact. energy: 1.523
local terms energy: -54.503198
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -159.663653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.663653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.663653 (E_RNA)
where:
Base-Base interactions energy: -98.087
where: short stacking energy: -46.300
Base-Backbone interact. energy: -0.059
local terms energy: -61.517450
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -75.537811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.537811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.537811 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.205
local terms energy: -45.505914
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -8.694
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -1.828
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: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -207.857565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.857565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.857565 (E_RNA)
where:
Base-Base interactions energy: -141.158
where: short stacking energy: -67.673
Base-Backbone interact. energy: 0.238
local terms energy: -66.937136
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -210.344177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.344177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.344177 (E_RNA)
where:
Base-Base interactions energy: -140.464
where: short stacking energy: -72.370
Base-Backbone interact. energy: -0.407
local terms energy: -69.472744
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -212.864862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.864862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.864862 (E_RNA)
where:
Base-Base interactions energy: -139.710
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.480
local terms energy: -72.674798
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -185.655901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.655901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.655901 (E_RNA)
where:
Base-Base interactions energy: -118.070
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.344
local terms energy: -67.241793
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -181.226253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.226253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.226253 (E_RNA)
where:
Base-Base interactions energy: -114.868
where: short stacking energy: -51.931
Base-Backbone interact. energy: -0.005
local terms energy: -66.353479
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -111.539119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.539119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.539119 (E_RNA)
where:
Base-Base interactions energy: -51.729
where: short stacking energy: -31.673
Base-Backbone interact. energy: -1.042
local terms energy: -58.768534
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -6.614
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: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -95.390022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.390022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.390022 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -35.567
Base-Backbone interact. energy: -0.068
local terms energy: -59.755643
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -5.577
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: 67
Temperature: 1.250000
Total energy: -173.074721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.074721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.074721 (E_RNA)
where:
Base-Base interactions energy: -108.658
where: short stacking energy: -60.938
Base-Backbone interact. energy: -0.015
local terms energy: -64.401439
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -84.320338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.320338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.320338 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -24.967
Base-Backbone interact. energy: -0.301
local terms energy: -53.363498
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -84.426112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.426112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.426112 (E_RNA)
where:
Base-Base interactions energy: -30.683
where: short stacking energy: -30.683
Base-Backbone interact. energy: -0.133
local terms energy: -53.609532
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -5.877
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: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -213.878383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.878383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.878383 (E_RNA)
where:
Base-Base interactions energy: -144.288
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.556
local terms energy: -69.033924
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -205.695997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.695997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.695997 (E_RNA)
where:
Base-Base interactions energy: -128.735
where: short stacking energy: -66.205
Base-Backbone interact. energy: -0.046
local terms energy: -76.914829
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -16.976
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: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -203.164421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.164421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.164421 (E_RNA)
where:
Base-Base interactions energy: -134.173
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.106
local terms energy: -68.885879
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.633
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: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -208.110142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.110142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.110142 (E_RNA)
where:
Base-Base interactions energy: -128.894
where: short stacking energy: -63.708
Base-Backbone interact. energy: -0.414
local terms energy: -78.802651
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -19.717
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: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -198.860170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.860170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.860170 (E_RNA)
where:
Base-Base interactions energy: -130.308
where: short stacking energy: -70.188
Base-Backbone interact. energy: 0.194
local terms energy: -68.745794
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -4.552
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: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -108.265746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.265746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.265746 (E_RNA)
where:
Base-Base interactions energy: -56.115
where: short stacking energy: -41.979
Base-Backbone interact. energy: -0.149
local terms energy: -52.000797
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -2.342
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: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -174.678610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.678610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.678610 (E_RNA)
where:
Base-Base interactions energy: -113.214
where: short stacking energy: -50.285
Base-Backbone interact. energy: -0.002
local terms energy: -61.462542
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -11.795
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: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -85.837650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.837650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.837650 (E_RNA)
where:
Base-Base interactions energy: -31.368
where: short stacking energy: -21.979
Base-Backbone interact. energy: -0.461
local terms energy: -54.008836
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -1.977
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: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -81.857576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.857576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.857576 (E_RNA)
where:
Base-Base interactions energy: -37.902
where: short stacking energy: -25.801
Base-Backbone interact. energy: -0.253
local terms energy: -43.702676
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -1.338
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: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -72.196716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.196716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.196716 (E_RNA)
where:
Base-Base interactions energy: -20.238
where: short stacking energy: -20.238
Base-Backbone interact. energy: -0.276
local terms energy: -51.683053
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -215.000737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.000737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.000737 (E_RNA)
where:
Base-Base interactions energy: -138.043
where: short stacking energy: -74.289
Base-Backbone interact. energy: -0.389
local terms energy: -76.568654
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -20.416
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: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -204.239293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.239293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.239293 (E_RNA)
where:
Base-Base interactions energy: -139.017
where: short stacking energy: -60.533
Base-Backbone interact. energy: -0.052
local terms energy: -65.170436
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -201.496854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.496854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.496854 (E_RNA)
where:
Base-Base interactions energy: -128.133
where: short stacking energy: -60.978
Base-Backbone interact. energy: -0.037
local terms energy: -73.325986
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -193.444417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.444417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.444417 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -65.649
Base-Backbone interact. energy: 3.654
local terms energy: -60.333733
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -205.611788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.611788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.611788 (E_RNA)
where:
Base-Base interactions energy: -138.177
where: short stacking energy: -56.849
Base-Backbone interact. energy: -0.331
local terms energy: -67.103868
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -12.055
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: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -176.953161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.953161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.953161 (E_RNA)
where:
Base-Base interactions energy: -119.865
where: short stacking energy: -54.400
Base-Backbone interact. energy: -0.220
local terms energy: -56.868022
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -11.971
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: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -102.244637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.244637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.244637 (E_RNA)
where:
Base-Base interactions energy: -57.696
where: short stacking energy: -25.517
Base-Backbone interact. energy: 0.042
local terms energy: -44.589787
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -8.290
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -94.481223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.481223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.481223 (E_RNA)
where:
Base-Base interactions energy: -45.430
where: short stacking energy: -32.732
Base-Backbone interact. energy: 1.277
local terms energy: -50.328066
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -1.909
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: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -79.527612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.527612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.527612 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -28.981
Base-Backbone interact. energy: 0.418
local terms energy: -50.439584
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -86.735193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.735193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.735193 (E_RNA)
where:
Base-Base interactions energy: -29.661
where: short stacking energy: -29.661
Base-Backbone interact. energy: -0.461
local terms energy: -56.613544
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -217.232660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.232660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.232660 (E_RNA)
where:
Base-Base interactions energy: -142.484
where: short stacking energy: -76.408
Base-Backbone interact. energy: -0.002
local terms energy: -74.746756
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.350
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: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -207.327036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.327036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.327036 (E_RNA)
where:
Base-Base interactions energy: -139.490
where: short stacking energy: -73.484
Base-Backbone interact. energy: -0.082
local terms energy: -67.754996
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -19.876
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: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -202.040010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.040010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.040010 (E_RNA)
where:
Base-Base interactions energy: -126.669
where: short stacking energy: -65.417
Base-Backbone interact. energy: -0.056
local terms energy: -75.314593
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -12.493
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: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -182.341975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.341975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.341975 (E_RNA)
where:
Base-Base interactions energy: -113.938
where: short stacking energy: -53.752
Base-Backbone interact. energy: -0.009
local terms energy: -68.394362
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -215.581620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.581620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.581620 (E_RNA)
where:
Base-Base interactions energy: -148.004
where: short stacking energy: -64.449
Base-Backbone interact. energy: -0.283
local terms energy: -67.295033
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.071
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: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -176.645361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.645361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.645361 (E_RNA)
where:
Base-Base interactions energy: -112.437
where: short stacking energy: -46.326
Base-Backbone interact. energy: 0.706
local terms energy: -64.914062
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -96.824781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.824781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.824781 (E_RNA)
where:
Base-Base interactions energy: -37.518
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.177
local terms energy: -59.129713
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -87.752888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.752888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.752888 (E_RNA)
where:
Base-Base interactions energy: -34.774
where: short stacking energy: -21.923
Base-Backbone interact. energy: -0.520
local terms energy: -52.458482
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -3.168
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: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -77.322762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.322762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.322762 (E_RNA)
where:
Base-Base interactions energy: -21.662
where: short stacking energy: -21.662
Base-Backbone interact. energy: 1.877
local terms energy: -57.538207
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -75.546282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.546282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.546282 (E_RNA)
where:
Base-Base interactions energy: -23.795
where: short stacking energy: -23.646
Base-Backbone interact. energy: -0.070
local terms energy: -51.681396
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -210.063203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.063203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.063203 (E_RNA)
where:
Base-Base interactions energy: -135.575
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.005
local terms energy: -74.483176
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -204.049476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.049476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.049476 (E_RNA)
where:
Base-Base interactions energy: -131.373
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.845
local terms energy: -71.831414
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -197.372342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.372342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.372342 (E_RNA)
where:
Base-Base interactions energy: -129.611
where: short stacking energy: -48.647
Base-Backbone interact. energy: -0.447
local terms energy: -67.313614
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -10.049
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: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -213.867857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.867857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.867857 (E_RNA)
where:
Base-Base interactions energy: -151.055
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.136
local terms energy: -62.676436
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -188.050482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.050482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.050482 (E_RNA)
where:
Base-Base interactions energy: -119.597
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.007
local terms energy: -68.445990
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -184.326601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.326601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.326601 (E_RNA)
where:
Base-Base interactions energy: -124.851
where: short stacking energy: -50.620
Base-Backbone interact. energy: -0.025
local terms energy: -59.450815
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -10.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -109.326421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.326421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.326421 (E_RNA)
where:
Base-Base interactions energy: -53.469
where: short stacking energy: -22.554
Base-Backbone interact. energy: -0.189
local terms energy: -55.668103
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -88.676101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.676101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.676101 (E_RNA)
where:
Base-Base interactions energy: -36.127
where: short stacking energy: -33.272
Base-Backbone interact. energy: 0.057
local terms energy: -52.606156
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -89.474381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.474381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.474381 (E_RNA)
where:
Base-Base interactions energy: -37.210
where: short stacking energy: -37.068
Base-Backbone interact. energy: -0.103
local terms energy: -52.161442
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -6.683
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -7.357
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: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -77.157814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.157814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.157814 (E_RNA)
where:
Base-Base interactions energy: -25.652
where: short stacking energy: -21.498
Base-Backbone interact. energy: -0.013
local terms energy: -51.493258
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -7.016
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: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -204.277042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.277042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.277042 (E_RNA)
where:
Base-Base interactions energy: -136.501
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.057
local terms energy: -67.719279
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.117
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: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -195.473744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.473744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.473744 (E_RNA)
where:
Base-Base interactions energy: -130.224
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.849
local terms energy: -64.401229
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -202.304250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.304250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.304250 (E_RNA)
where:
Base-Base interactions energy: -142.122
where: short stacking energy: -67.750
Base-Backbone interact. energy: -0.815
local terms energy: -59.367007
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -17.218
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: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -202.841001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.841001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.841001 (E_RNA)
where:
Base-Base interactions energy: -137.232
where: short stacking energy: -56.868
Base-Backbone interact. energy: -0.855
local terms energy: -64.753851
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -181.718064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.718064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.718064 (E_RNA)
where:
Base-Base interactions energy: -115.560
where: short stacking energy: -53.801
Base-Backbone interact. energy: -0.009
local terms energy: -66.149432
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -182.299487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.299487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.299487 (E_RNA)
where:
Base-Base interactions energy: -122.494
where: short stacking energy: -60.694
Base-Backbone interact. energy: -0.164
local terms energy: -59.641600
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -104.780465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.780465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.780465 (E_RNA)
where:
Base-Base interactions energy: -56.955
where: short stacking energy: -34.923
Base-Backbone interact. energy: 0.779
local terms energy: -48.604433
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -2.295
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: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -110.935397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.935397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.935397 (E_RNA)
where:
Base-Base interactions energy: -59.189
where: short stacking energy: -33.414
Base-Backbone interact. energy: -0.384
local terms energy: -51.361740
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -2.130
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: 72
Temperature: 1.300000
Total energy: -83.813598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.813598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.813598 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.224
local terms energy: -52.083925
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -1.802
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: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -75.391688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.391688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.391688 (E_RNA)
where:
Base-Base interactions energy: -28.207
where: short stacking energy: -25.087
Base-Backbone interact. energy: 0.545
local terms energy: -47.729796
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: 1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -214.629676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.629676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.629676 (E_RNA)
where:
Base-Base interactions energy: -141.277
where: short stacking energy: -66.628
Base-Backbone interact. energy: 1.207
local terms energy: -74.560563
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.541
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: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -197.614239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.614239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.614239 (E_RNA)
where:
Base-Base interactions energy: -130.912
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.147
local terms energy: -66.555803
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -210.082462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.082462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.082462 (E_RNA)
where:
Base-Base interactions energy: -138.532
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.098
local terms energy: -71.453315
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -185.132994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.132994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.132994 (E_RNA)
where:
Base-Base interactions energy: -117.719
where: short stacking energy: -51.413
Base-Backbone interact. energy: -0.009
local terms energy: -67.404647
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -11.969
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: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -184.707651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.707651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.707651 (E_RNA)
where:
Base-Base interactions energy: -122.416
where: short stacking energy: -51.323
Base-Backbone interact. energy: -0.525
local terms energy: -61.766368
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -176.561312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.561312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.561312 (E_RNA)
where:
Base-Base interactions energy: -114.117
where: short stacking energy: -51.433
Base-Backbone interact. energy: -0.153
local terms energy: -62.291173
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -7.753
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -10.821
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: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -103.323876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.323876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.323876 (E_RNA)
where:
Base-Base interactions energy: -42.375
where: short stacking energy: -34.271
Base-Backbone interact. energy: 0.324
local terms energy: -61.273145
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -82.637818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.637818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.637818 (E_RNA)
where:
Base-Base interactions energy: -29.930
where: short stacking energy: -29.930
Base-Backbone interact. energy: -0.066
local terms energy: -52.641908
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -88.077765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.077765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.077765 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -33.491
Base-Backbone interact. energy: -0.109
local terms energy: -53.159303
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -83.433729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.433729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.433729 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -23.462
Base-Backbone interact. energy: -0.124
local terms energy: -44.395417
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: 1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -211.168591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.168591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.168591 (E_RNA)
where:
Base-Base interactions energy: -137.797
where: short stacking energy: -64.784
Base-Backbone interact. energy: -0.303
local terms energy: -73.068066
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -10.586
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: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -195.350424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.350424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.350424 (E_RNA)
where:
Base-Base interactions energy: -120.269
where: short stacking energy: -58.836
Base-Backbone interact. energy: -1.030
local terms energy: -74.051460
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -11.107
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: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -194.895330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.895330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.895330 (E_RNA)
where:
Base-Base interactions energy: -120.528
where: short stacking energy: -61.526
Base-Backbone interact. energy: -0.041
local terms energy: -74.326386
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -181.598207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.598207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.598207 (E_RNA)
where:
Base-Base interactions energy: -117.815
where: short stacking energy: -54.003
Base-Backbone interact. energy: -0.322
local terms energy: -63.461929
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -180.731857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.731857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.731857 (E_RNA)
where:
Base-Base interactions energy: -111.907
where: short stacking energy: -47.169
Base-Backbone interact. energy: -0.216
local terms energy: -68.609797
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -198.929789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.929789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.929789 (E_RNA)
where:
Base-Base interactions energy: -134.713
where: short stacking energy: -54.407
Base-Backbone interact. energy: 0.342
local terms energy: -64.558328
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -85.996954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.996954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.996954 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -27.508
Base-Backbone interact. energy: -1.888
local terms energy: -52.506333
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -92.378994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.378994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.378994 (E_RNA)
where:
Base-Base interactions energy: -35.025
where: short stacking energy: -28.176
Base-Backbone interact. energy: -0.056
local terms energy: -57.298056
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -90.620909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.620909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.620909 (E_RNA)
where:
Base-Base interactions energy: -39.171
where: short stacking energy: -27.583
Base-Backbone interact. energy: 0.476
local terms energy: -51.925987
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -81.830344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.830344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.830344 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.646
local terms energy: -49.321085
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -5.435
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: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -210.119901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.119901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.119901 (E_RNA)
where:
Base-Base interactions energy: -136.131
where: short stacking energy: -66.981
Base-Backbone interact. energy: -0.002
local terms energy: -73.987110
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -197.601764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.601764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.601764 (E_RNA)
where:
Base-Base interactions energy: -123.791
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.107
local terms energy: -73.703711
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -199.624514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.624514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.624514 (E_RNA)
where:
Base-Base interactions energy: -131.239
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.259
local terms energy: -68.127174
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -188.370747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.370747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.370747 (E_RNA)
where:
Base-Base interactions energy: -112.227
where: short stacking energy: -57.555
Base-Backbone interact. energy: -0.001
local terms energy: -76.142831
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -20.017
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: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -189.898900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.898900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.898900 (E_RNA)
where:
Base-Base interactions energy: -130.813
where: short stacking energy: -46.983
Base-Backbone interact. energy: -0.226
local terms energy: -58.860701
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -6.965
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: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -184.954021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.954021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.954021 (E_RNA)
where:
Base-Base interactions energy: -123.182
where: short stacking energy: -52.264
Base-Backbone interact. energy: -0.551
local terms energy: -61.220345
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -106.946165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.946165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.946165 (E_RNA)
where:
Base-Base interactions energy: -57.658
where: short stacking energy: -35.790
Base-Backbone interact. energy: -0.272
local terms energy: -49.015957
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -5.191
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -90.517833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.517833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.517833 (E_RNA)
where:
Base-Base interactions energy: -43.648
where: short stacking energy: -37.952
Base-Backbone interact. energy: -0.078
local terms energy: -46.791662
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -1.885
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -79.445712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.445712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.445712 (E_RNA)
where:
Base-Base interactions energy: -28.827
where: short stacking energy: -27.313
Base-Backbone interact. energy: -0.154
local terms energy: -50.464509
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -79.281539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.281539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.281539 (E_RNA)
where:
Base-Base interactions energy: -25.196
where: short stacking energy: -24.156
Base-Backbone interact. energy: -0.278
local terms energy: -53.808128
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -3.684
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: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -204.143459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.143459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.143459 (E_RNA)
where:
Base-Base interactions energy: -127.092
where: short stacking energy: -68.497
Base-Backbone interact. energy: 0.085
local terms energy: -77.137066
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -198.547679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.547679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.547679 (E_RNA)
where:
Base-Base interactions energy: -125.141
where: short stacking energy: -64.215
Base-Backbone interact. energy: -0.000
local terms energy: -73.405792
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -10.863
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: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -195.769504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.769504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.769504 (E_RNA)
where:
Base-Base interactions energy: -129.481
where: short stacking energy: -58.238
Base-Backbone interact. energy: -0.931
local terms energy: -65.357117
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -189.744002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.744002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.744002 (E_RNA)
where:
Base-Base interactions energy: -117.771
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.531
local terms energy: -71.442125
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -11.246
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: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -188.063598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.063598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.063598 (E_RNA)
where:
Base-Base interactions energy: -124.655
where: short stacking energy: -52.803
Base-Backbone interact. energy: -0.017
local terms energy: -63.391235
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -8.098
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -189.595490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.595490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.595490 (E_RNA)
where:
Base-Base interactions energy: -129.155
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.765
local terms energy: -59.676095
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -89.530041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.530041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.530041 (E_RNA)
where:
Base-Base interactions energy: -30.816
where: short stacking energy: -25.640
Base-Backbone interact. energy: -0.639
local terms energy: -58.074690
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -109.227335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.227335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.227335 (E_RNA)
where:
Base-Base interactions energy: -71.817
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.611
local terms energy: -36.798615
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: 5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -95.657039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657039 (E_RNA)
where:
Base-Base interactions energy: -41.843
where: short stacking energy: -24.843
Base-Backbone interact. energy: -0.723
local terms energy: -53.091089
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -79.596364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.596364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.596364 (E_RNA)
where:
Base-Base interactions energy: -26.491
where: short stacking energy: -17.173
Base-Backbone interact. energy: -0.352
local terms energy: -52.752966
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: 0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -205.991102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.991102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.991102 (E_RNA)
where:
Base-Base interactions energy: -131.348
where: short stacking energy: -64.170
Base-Backbone interact. energy: -0.021
local terms energy: -74.621162
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -191.377486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.377486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.377486 (E_RNA)
where:
Base-Base interactions energy: -124.213
where: short stacking energy: -55.953
Base-Backbone interact. energy: -0.402
local terms energy: -66.762150
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -196.850284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.850284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.850284 (E_RNA)
where:
Base-Base interactions energy: -134.107
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.004
local terms energy: -62.739578
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -186.264235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.264235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.264235 (E_RNA)
where:
Base-Base interactions energy: -117.745
where: short stacking energy: -59.230
Base-Backbone interact. energy: -0.002
local terms energy: -68.517419
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -183.601406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.601406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.601406 (E_RNA)
where:
Base-Base interactions energy: -122.908
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.001
local terms energy: -60.693002
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -176.211343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.211343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.211343 (E_RNA)
where:
Base-Base interactions energy: -107.509
where: short stacking energy: -44.893
Base-Backbone interact. energy: -0.612
local terms energy: -68.090783
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -91.750222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.750222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.750222 (E_RNA)
where:
Base-Base interactions energy: -53.098
where: short stacking energy: -28.489
Base-Backbone interact. energy: -1.033
local terms energy: -37.618758
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -7.087
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: 2.021
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: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -117.269057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.269057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.269057 (E_RNA)
where:
Base-Base interactions energy: -59.853
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.084
local terms energy: -57.331479
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -8.618
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: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -80.042221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.042221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.042221 (E_RNA)
where:
Base-Base interactions energy: -33.932
where: short stacking energy: -33.932
Base-Backbone interact. energy: -0.028
local terms energy: -46.082196
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -2.423
tors. eta vs tors. theta energy: -4.635
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: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -84.809437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.809437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.809437 (E_RNA)
where:
Base-Base interactions energy: -37.631
where: short stacking energy: -37.631
Base-Backbone interact. energy: -0.100
local terms energy: -47.078594
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -6.431
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -5.162
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: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -205.024265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.024265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.024265 (E_RNA)
where:
Base-Base interactions energy: -128.795
where: short stacking energy: -71.757
Base-Backbone interact. energy: -0.013
local terms energy: -76.216921
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -8.681
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: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -192.003906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.003906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.003906 (E_RNA)
where:
Base-Base interactions energy: -127.779
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.162
local terms energy: -64.063143
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -10.460
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: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -205.185888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.185888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.185888 (E_RNA)
where:
Base-Base interactions energy: -127.733
where: short stacking energy: -71.407
Base-Backbone interact. energy: -0.001
local terms energy: -77.452155
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -17.879
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: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -182.086736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.086736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.086736 (E_RNA)
where:
Base-Base interactions energy: -115.240
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.025
local terms energy: -66.821871
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -167.797868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.797868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.797868 (E_RNA)
where:
Base-Base interactions energy: -105.267
where: short stacking energy: -45.856
Base-Backbone interact. energy: 1.472
local terms energy: -64.003058
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -10.776
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: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -178.448799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.448799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.448799 (E_RNA)
where:
Base-Base interactions energy: -115.208
where: short stacking energy: -54.317
Base-Backbone interact. energy: -0.081
local terms energy: -63.159744
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -141.157835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.157835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.157835 (E_RNA)
where:
Base-Base interactions energy: -80.214
where: short stacking energy: -54.379
Base-Backbone interact. energy: -0.032
local terms energy: -60.911600
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -96.261076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.261076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.261076 (E_RNA)
where:
Base-Base interactions energy: -51.308
where: short stacking energy: -31.636
Base-Backbone interact. energy: -0.111
local terms energy: -44.841836
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: 0.967
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: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -76.617364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.617364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.617364 (E_RNA)
where:
Base-Base interactions energy: -28.647
where: short stacking energy: -28.647
Base-Backbone interact. energy: -0.163
local terms energy: -47.806573
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -2.202
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: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -76.675118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.675118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.675118 (E_RNA)
where:
Base-Base interactions energy: -30.921
where: short stacking energy: -30.921
Base-Backbone interact. energy: -0.244
local terms energy: -45.510197
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -4.153
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: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -204.525489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.525489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.525489 (E_RNA)
where:
Base-Base interactions energy: -134.928
where: short stacking energy: -68.915
Base-Backbone interact. energy: -0.002
local terms energy: -69.595586
where:
bonds (distance) C4'-P energy: -8.213
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -13.100
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: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -211.533156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.533156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.533156 (E_RNA)
where:
Base-Base interactions energy: -143.622
where: short stacking energy: -61.932
Base-Backbone interact. energy: -2.017
local terms energy: -65.894161
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -8.119
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: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -196.927824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.927824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.927824 (E_RNA)
where:
Base-Base interactions energy: -137.269
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.051
local terms energy: -59.607971
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -9.897
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: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -179.101261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.101261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.101261 (E_RNA)
where:
Base-Base interactions energy: -120.686
where: short stacking energy: -55.105
Base-Backbone interact. energy: -0.658
local terms energy: -57.756803
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -8.216
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: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -199.593084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.593084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.593084 (E_RNA)
where:
Base-Base interactions energy: -140.424
where: short stacking energy: -58.034
Base-Backbone interact. energy: -0.440
local terms energy: -58.729162
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -9.577
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: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -186.791973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.791973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.791973 (E_RNA)
where:
Base-Base interactions energy: -121.172
where: short stacking energy: -54.975
Base-Backbone interact. energy: -0.052
local terms energy: -65.568420
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -138.861785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.861785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.861785 (E_RNA)
where:
Base-Base interactions energy: -75.067
where: short stacking energy: -44.362
Base-Backbone interact. energy: -0.161
local terms energy: -63.633483
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -92.795535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.795535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.795535 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -38.914
Base-Backbone interact. energy: -0.162
local terms energy: -53.719812
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -4.690
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: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -81.547877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.547877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.547877 (E_RNA)
where:
Base-Base interactions energy: -30.299
where: short stacking energy: -25.385
Base-Backbone interact. energy: -0.050
local terms energy: -51.198954
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -89.328307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.328307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.328307 (E_RNA)
where:
Base-Base interactions energy: -39.943
where: short stacking energy: -14.494
Base-Backbone interact. energy: -0.425
local terms energy: -48.960108
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: 4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -211.926875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.926875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.926875 (E_RNA)
where:
Base-Base interactions energy: -138.140
where: short stacking energy: -62.965
Base-Backbone interact. energy: -0.843
local terms energy: -72.944130
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -9.220
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: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -193.147606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.147606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.147606 (E_RNA)
where:
Base-Base interactions energy: -126.954
where: short stacking energy: -65.802
Base-Backbone interact. energy: -0.001
local terms energy: -66.192437
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -218.219662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.219662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.219662 (E_RNA)
where:
Base-Base interactions energy: -154.377
where: short stacking energy: -61.072
Base-Backbone interact. energy: -0.631
local terms energy: -63.212212
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -13.488
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: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -176.643906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.643906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.643906 (E_RNA)
where:
Base-Base interactions energy: -123.625
where: short stacking energy: -37.434
Base-Backbone interact. energy: -0.602
local terms energy: -52.416379
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -4.576
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -182.002207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.002207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.002207 (E_RNA)
where:
Base-Base interactions energy: -114.302
where: short stacking energy: -47.140
Base-Backbone interact. energy: -0.328
local terms energy: -67.371860
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -177.721307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.721307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.721307 (E_RNA)
where:
Base-Base interactions energy: -110.584
where: short stacking energy: -47.570
Base-Backbone interact. energy: -0.013
local terms energy: -67.123969
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -13.972
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: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -141.086008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.086008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.086008 (E_RNA)
where:
Base-Base interactions energy: -88.156
where: short stacking energy: -42.368
Base-Backbone interact. energy: 0.218
local terms energy: -53.148257
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -10.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -84.961623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961623 (E_RNA)
where:
Base-Base interactions energy: -32.836
where: short stacking energy: -25.365
Base-Backbone interact. energy: -0.314
local terms energy: -51.811283
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -2.111
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: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -78.609116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.609116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.609116 (E_RNA)
where:
Base-Base interactions energy: -30.363
where: short stacking energy: -30.363
Base-Backbone interact. energy: -0.460
local terms energy: -47.786492
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -3.858
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -80.102890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.102890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.102890 (E_RNA)
where:
Base-Base interactions energy: -42.415
where: short stacking energy: -24.035
Base-Backbone interact. energy: 1.177
local terms energy: -38.864823
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -3.159
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -197.767327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.767327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.767327 (E_RNA)
where:
Base-Base interactions energy: -135.269
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.095
local terms energy: -62.403687
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -224.470178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.470178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.470178 (E_RNA)
where:
Base-Base interactions energy: -153.688
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.042
local terms energy: -70.740123
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -201.111658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.111658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.111658 (E_RNA)
where:
Base-Base interactions energy: -133.280
where: short stacking energy: -54.244
Base-Backbone interact. energy: -0.151
local terms energy: -67.680826
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -15.056
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: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -184.369855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.369855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.369855 (E_RNA)
where:
Base-Base interactions energy: -128.234
where: short stacking energy: -43.442
Base-Backbone interact. energy: 0.741
local terms energy: -56.877362
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -8.529
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: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -184.393559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.393559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.393559 (E_RNA)
where:
Base-Base interactions energy: -123.190
where: short stacking energy: -56.098
Base-Backbone interact. energy: -0.271
local terms energy: -60.933310
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -177.157861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.157861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.157861 (E_RNA)
where:
Base-Base interactions energy: -111.893
where: short stacking energy: -49.827
Base-Backbone interact. energy: -0.297
local terms energy: -64.967305
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -155.884179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.884179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.884179 (E_RNA)
where:
Base-Base interactions energy: -93.408
where: short stacking energy: -47.602
Base-Backbone interact. energy: -0.040
local terms energy: -62.435680
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -9.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -86.404618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.404618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.404618 (E_RNA)
where:
Base-Base interactions energy: -33.332
where: short stacking energy: -29.424
Base-Backbone interact. energy: -0.053
local terms energy: -53.019077
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -6.779
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: 81
Temperature: 1.300000
Total energy: -82.864034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.864034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.864034 (E_RNA)
where:
Base-Base interactions energy: -33.590
where: short stacking energy: -32.470
Base-Backbone interact. energy: 1.633
local terms energy: -50.906938
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -4.250
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: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -78.825341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.825341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.825341 (E_RNA)
where:
Base-Base interactions energy: -24.638
where: short stacking energy: -15.455
Base-Backbone interact. energy: -0.309
local terms energy: -53.878038
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -1.967
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: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -222.709712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.709712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.709712 (E_RNA)
where:
Base-Base interactions energy: -150.865
where: short stacking energy: -59.926
Base-Backbone interact. energy: 1.712
local terms energy: -73.557036
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -197.383854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.383854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.383854 (E_RNA)
where:
Base-Base interactions energy: -120.986
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.087
local terms energy: -76.310814
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -204.755398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.755398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.755398 (E_RNA)
where:
Base-Base interactions energy: -141.621
where: short stacking energy: -56.587
Base-Backbone interact. energy: -0.309
local terms energy: -62.825439
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -12.449
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: 82
Temperature: 1.050000
Total energy: -192.011704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.011704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.011704 (E_RNA)
where:
Base-Base interactions energy: -126.777
where: short stacking energy: -54.561
Base-Backbone interact. energy: -0.020
local terms energy: -65.214238
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -184.845767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.845767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.845767 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -56.543
Base-Backbone interact. energy: 0.002
local terms energy: -67.175875
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -165.320475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.320475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.320475 (E_RNA)
where:
Base-Base interactions energy: -111.088
where: short stacking energy: -42.542
Base-Backbone interact. energy: -0.366
local terms energy: -53.866796
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -8.399
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -141.553201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.553201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.553201 (E_RNA)
where:
Base-Base interactions energy: -88.614
where: short stacking energy: -43.867
Base-Backbone interact. energy: -0.199
local terms energy: -52.740212
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -7.436
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: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -87.386916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.386916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.386916 (E_RNA)
where:
Base-Base interactions energy: -38.963
where: short stacking energy: -37.218
Base-Backbone interact. energy: -0.111
local terms energy: -48.312467
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -80.459725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459725 (E_RNA)
where:
Base-Base interactions energy: -32.163
where: short stacking energy: -28.559
Base-Backbone interact. energy: -0.143
local terms energy: -48.153523
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -73.039685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.039685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.039685 (E_RNA)
where:
Base-Base interactions energy: -32.829
where: short stacking energy: -31.192
Base-Backbone interact. energy: -0.199
local terms energy: -40.012366
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: 1.090
tors. eta vs tors. theta energy: -1.396
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: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -228.808295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.808295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.808295 (E_RNA)
where:
Base-Base interactions energy: -156.734
where: short stacking energy: -61.946
Base-Backbone interact. energy: -0.162
local terms energy: -71.912367
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -202.658454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.658454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.658454 (E_RNA)
where:
Base-Base interactions energy: -141.747
where: short stacking energy: -48.728
Base-Backbone interact. energy: -0.698
local terms energy: -60.213901
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -184.371651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.371651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.371651 (E_RNA)
where:
Base-Base interactions energy: -116.786
where: short stacking energy: -50.196
Base-Backbone interact. energy: -0.137
local terms energy: -67.448639
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -199.020424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.020424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.020424 (E_RNA)
where:
Base-Base interactions energy: -122.324
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.004
local terms energy: -76.692944
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -189.689685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.689685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.689685 (E_RNA)
where:
Base-Base interactions energy: -119.616
where: short stacking energy: -61.224
Base-Backbone interact. energy: -0.172
local terms energy: -69.901718
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -177.067733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.067733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.067733 (E_RNA)
where:
Base-Base interactions energy: -111.452
where: short stacking energy: -52.334
Base-Backbone interact. energy: -0.001
local terms energy: -65.614815
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -11.127
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: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -154.641476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.641476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.641476 (E_RNA)
where:
Base-Base interactions energy: -90.154
where: short stacking energy: -49.730
Base-Backbone interact. energy: -0.015
local terms energy: -64.472321
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -84.136670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.136670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.136670 (E_RNA)
where:
Base-Base interactions energy: -33.902
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.076
local terms energy: -50.159196
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -1.974
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: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -83.771169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.771169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.771169 (E_RNA)
where:
Base-Base interactions energy: -41.593
where: short stacking energy: -35.813
Base-Backbone interact. energy: -0.035
local terms energy: -42.144072
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: 2.070
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -83.078201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.078201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.078201 (E_RNA)
where:
Base-Base interactions energy: -36.768
where: short stacking energy: -33.151
Base-Backbone interact. energy: -0.053
local terms energy: -46.257380
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -4.667
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: 84
Temperature: 0.900000
Total energy: -221.778170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.778170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.778170 (E_RNA)
where:
Base-Base interactions energy: -149.247
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.020
local terms energy: -72.511228
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -200.691337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.691337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.691337 (E_RNA)
where:
Base-Base interactions energy: -133.919
where: short stacking energy: -62.212
Base-Backbone interact. energy: -0.135
local terms energy: -66.637444
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -13.199
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: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -202.272080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.272080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.272080 (E_RNA)
where:
Base-Base interactions energy: -137.670
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.047
local terms energy: -64.555058
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -190.544555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.544555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.544555 (E_RNA)
where:
Base-Base interactions energy: -128.500
where: short stacking energy: -67.986
Base-Backbone interact. energy: -0.078
local terms energy: -61.966804
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -16.974
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: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -183.029179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.029179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.029179 (E_RNA)
where:
Base-Base interactions energy: -120.279
where: short stacking energy: -54.674
Base-Backbone interact. energy: -0.007
local terms energy: -62.742628
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -11.077
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: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -185.147628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.147628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.147628 (E_RNA)
where:
Base-Base interactions energy: -122.239
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.544
local terms energy: -62.364165
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -1.196
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -144.122481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.122481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.122481 (E_RNA)
where:
Base-Base interactions energy: -85.237
where: short stacking energy: -39.982
Base-Backbone interact. energy: -0.151
local terms energy: -58.734122
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -87.229757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229757 (E_RNA)
where:
Base-Base interactions energy: -27.942
where: short stacking energy: -14.212
Base-Backbone interact. energy: -1.001
local terms energy: -58.286694
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -79.764836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.764836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.764836 (E_RNA)
where:
Base-Base interactions energy: -26.987
where: short stacking energy: -23.407
Base-Backbone interact. energy: -0.120
local terms energy: -52.657275
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -7.726
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: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -78.005370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.005370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.005370 (E_RNA)
where:
Base-Base interactions energy: -32.715
where: short stacking energy: -27.807
Base-Backbone interact. energy: 0.296
local terms energy: -45.585473
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -7.186
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -1.726
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: 85
Temperature: 0.900000
Total energy: -220.391996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.391996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.391996 (E_RNA)
where:
Base-Base interactions energy: -151.671
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.002
local terms energy: -68.718620
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -203.373575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.373575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.373575 (E_RNA)
where:
Base-Base interactions energy: -125.420
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.101
local terms energy: -77.852334
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -214.384273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.384273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.384273 (E_RNA)
where:
Base-Base interactions energy: -145.813
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.575
local terms energy: -67.996814
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -9.994
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: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -181.781134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.781134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.781134 (E_RNA)
where:
Base-Base interactions energy: -115.873
where: short stacking energy: -54.815
Base-Backbone interact. energy: 0.004
local terms energy: -65.912489
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -8.809
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: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -185.573756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.573756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.573756 (E_RNA)
where:
Base-Base interactions energy: -122.936
where: short stacking energy: -54.495
Base-Backbone interact. energy: -0.044
local terms energy: -62.593734
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -7.597
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: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -181.952177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.952177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.952177 (E_RNA)
where:
Base-Base interactions energy: -124.194
where: short stacking energy: -60.405
Base-Backbone interact. energy: -0.136
local terms energy: -57.622229
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -1.629
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: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -133.616338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.616338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.616338 (E_RNA)
where:
Base-Base interactions energy: -77.601
where: short stacking energy: -44.693
Base-Backbone interact. energy: -0.140
local terms energy: -55.875586
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -81.369921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.369921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.369921 (E_RNA)
where:
Base-Base interactions energy: -32.448
where: short stacking energy: -32.448
Base-Backbone interact. energy: -1.163
local terms energy: -47.759138
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -1.235
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -76.504182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.504182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.504182 (E_RNA)
where:
Base-Base interactions energy: -24.885
where: short stacking energy: -24.885
Base-Backbone interact. energy: -0.103
local terms energy: -51.516461
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -99.142822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.142822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.142822 (E_RNA)
where:
Base-Base interactions energy: -49.998
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.581
local terms energy: -48.563766
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: 4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -222.059019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.059019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.059019 (E_RNA)
where:
Base-Base interactions energy: -153.230
where: short stacking energy: -61.836
Base-Backbone interact. energy: -0.003
local terms energy: -68.826021
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -15.310
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -210.356401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.356401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.356401 (E_RNA)
where:
Base-Base interactions energy: -135.060
where: short stacking energy: -66.410
Base-Backbone interact. energy: -0.001
local terms energy: -75.295153
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -209.409747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.409747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.409747 (E_RNA)
where:
Base-Base interactions energy: -146.161
where: short stacking energy: -61.560
Base-Backbone interact. energy: 2.564
local terms energy: -65.813179
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -10.945
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: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -191.173550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.173550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.173550 (E_RNA)
where:
Base-Base interactions energy: -122.336
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.222
local terms energy: -68.615110
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -17.164
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: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -188.808298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.808298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.808298 (E_RNA)
where:
Base-Base interactions energy: -123.547
where: short stacking energy: -63.996
Base-Backbone interact. energy: -0.012
local terms energy: -65.249239
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -177.777738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.777738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.777738 (E_RNA)
where:
Base-Base interactions energy: -117.794
where: short stacking energy: -49.612
Base-Backbone interact. energy: -0.384
local terms energy: -59.600033
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -11.960
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: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -95.620810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.620810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.620810 (E_RNA)
where:
Base-Base interactions energy: -41.860
where: short stacking energy: -37.634
Base-Backbone interact. energy: -0.005
local terms energy: -53.756015
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -87.479585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.479585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.479585 (E_RNA)
where:
Base-Base interactions energy: -33.020
where: short stacking energy: -27.276
Base-Backbone interact. energy: -0.096
local terms energy: -54.363274
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -116.552008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.552008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.552008 (E_RNA)
where:
Base-Base interactions energy: -59.434
where: short stacking energy: -34.555
Base-Backbone interact. energy: -0.180
local terms energy: -56.938356
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -91.000673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.000673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.000673 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.928
local terms energy: -52.336227
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -219.103377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.103377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.103377 (E_RNA)
where:
Base-Base interactions energy: -148.883
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.748
local terms energy: -69.472792
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -5.332
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: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -210.275482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.275482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.275482 (E_RNA)
where:
Base-Base interactions energy: -139.858
where: short stacking energy: -60.627
Base-Backbone interact. energy: -0.145
local terms energy: -70.272370
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -197.838177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.838177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.838177 (E_RNA)
where:
Base-Base interactions energy: -132.600
where: short stacking energy: -65.940
Base-Backbone interact. energy: -0.037
local terms energy: -65.200872
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -195.036346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.036346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.036346 (E_RNA)
where:
Base-Base interactions energy: -126.313
where: short stacking energy: -51.670
Base-Backbone interact. energy: 0.262
local terms energy: -68.984469
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -180.544500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.544500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.544500 (E_RNA)
where:
Base-Base interactions energy: -120.525
where: short stacking energy: -57.159
Base-Backbone interact. energy: 0.904
local terms energy: -60.923958
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -6.760
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: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -151.447275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.447275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.447275 (E_RNA)
where:
Base-Base interactions energy: -96.262
where: short stacking energy: -43.932
Base-Backbone interact. energy: -0.121
local terms energy: -55.064330
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -90.698912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.698912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.698912 (E_RNA)
where:
Base-Base interactions energy: -38.017
where: short stacking energy: -38.017
Base-Backbone interact. energy: -0.096
local terms energy: -52.585711
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -105.409518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.409518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.409518 (E_RNA)
where:
Base-Base interactions energy: -44.249
where: short stacking energy: -41.223
Base-Backbone interact. energy: -0.032
local terms energy: -61.128754
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -84.671973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.671973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.671973 (E_RNA)
where:
Base-Base interactions energy: -36.255
where: short stacking energy: -32.372
Base-Backbone interact. energy: -0.065
local terms energy: -48.351559
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -85.722291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.722291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.722291 (E_RNA)
where:
Base-Base interactions energy: -35.532
where: short stacking energy: -22.657
Base-Backbone interact. energy: -1.039
local terms energy: -49.150960
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -12.077
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: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -217.733672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.733672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.733672 (E_RNA)
where:
Base-Base interactions energy: -149.614
where: short stacking energy: -61.386
Base-Backbone interact. energy: -0.023
local terms energy: -68.096538
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.600
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: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -205.905160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.905160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.905160 (E_RNA)
where:
Base-Base interactions energy: -142.680
where: short stacking energy: -50.063
Base-Backbone interact. energy: -0.997
local terms energy: -62.227867
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -206.348576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.348576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.348576 (E_RNA)
where:
Base-Base interactions energy: -140.914
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.260
local terms energy: -65.174250
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -7.700
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: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -188.570886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.570886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.570886 (E_RNA)
where:
Base-Base interactions energy: -129.364
where: short stacking energy: -55.470
Base-Backbone interact. energy: -0.028
local terms energy: -59.178960
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -176.860726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.860726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.860726 (E_RNA)
where:
Base-Base interactions energy: -117.658
where: short stacking energy: -47.528
Base-Backbone interact. energy: -0.427
local terms energy: -58.775642
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -166.920228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.920228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.920228 (E_RNA)
where:
Base-Base interactions energy: -103.470
where: short stacking energy: -58.677
Base-Backbone interact. energy: -0.103
local terms energy: -63.347248
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -100.548191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.548191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.548191 (E_RNA)
where:
Base-Base interactions energy: -45.089
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.040
local terms energy: -55.419982
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -84.136604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.136604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.136604 (E_RNA)
where:
Base-Base interactions energy: -38.842
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.084
local terms energy: -45.210907
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -80.608551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.608551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.608551 (E_RNA)
where:
Base-Base interactions energy: -21.929
where: short stacking energy: -18.575
Base-Backbone interact. energy: -0.115
local terms energy: -58.564334
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -3.077
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: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -79.979086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.979086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.979086 (E_RNA)
where:
Base-Base interactions energy: -27.256
where: short stacking energy: -22.802
Base-Backbone interact. energy: -0.008
local terms energy: -52.714965
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -210.942981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.942981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.942981 (E_RNA)
where:
Base-Base interactions energy: -143.877
where: short stacking energy: -64.138
Base-Backbone interact. energy: -0.059
local terms energy: -67.006941
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -13.469
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: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -217.735366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.735366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.735366 (E_RNA)
where:
Base-Base interactions energy: -159.095
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.081
local terms energy: -58.559975
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -194.175938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.175938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.175938 (E_RNA)
where:
Base-Base interactions energy: -125.393
where: short stacking energy: -55.916
Base-Backbone interact. energy: 0.067
local terms energy: -68.849379
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -187.098697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.098697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.098697 (E_RNA)
where:
Base-Base interactions energy: -119.413
where: short stacking energy: -53.393
Base-Backbone interact. energy: -0.215
local terms energy: -67.470874
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -14.710
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: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -189.082817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.082817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.082817 (E_RNA)
where:
Base-Base interactions energy: -123.706
where: short stacking energy: -60.381
Base-Backbone interact. energy: 0.808
local terms energy: -66.185074
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -156.384887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.384887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.384887 (E_RNA)
where:
Base-Base interactions energy: -99.491
where: short stacking energy: -48.494
Base-Backbone interact. energy: -0.470
local terms energy: -56.424087
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -92.774741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.774741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.774741 (E_RNA)
where:
Base-Base interactions energy: -38.266
where: short stacking energy: -36.619
Base-Backbone interact. energy: -0.129
local terms energy: -54.379734
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -105.028937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.028937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.028937 (E_RNA)
where:
Base-Base interactions energy: -55.787
where: short stacking energy: -22.800
Base-Backbone interact. energy: -0.444
local terms energy: -48.798347
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.702
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: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -85.201529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.201529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.201529 (E_RNA)
where:
Base-Base interactions energy: -35.966
where: short stacking energy: -19.947
Base-Backbone interact. energy: -0.129
local terms energy: -49.105931
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -0.488
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: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -80.246268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.246268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.246268 (E_RNA)
where:
Base-Base interactions energy: -28.985
where: short stacking energy: -26.591
Base-Backbone interact. energy: -0.012
local terms energy: -51.248962
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -7.521
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: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -212.211529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.211529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.211529 (E_RNA)
where:
Base-Base interactions energy: -144.882
where: short stacking energy: -58.018
Base-Backbone interact. energy: -0.912
local terms energy: -66.417108
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -8.410
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: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -207.461871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.461871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.461871 (E_RNA)
where:
Base-Base interactions energy: -137.317
where: short stacking energy: -65.758
Base-Backbone interact. energy: -0.002
local terms energy: -70.142616
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -209.589668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.589668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.589668 (E_RNA)
where:
Base-Base interactions energy: -145.155
where: short stacking energy: -59.715
Base-Backbone interact. energy: -0.436
local terms energy: -63.998637
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -18.396
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: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -189.861211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.861211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.861211 (E_RNA)
where:
Base-Base interactions energy: -121.568
where: short stacking energy: -64.350
Base-Backbone interact. energy: -0.005
local terms energy: -68.288303
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -9.313
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: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -164.111431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.111431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.111431 (E_RNA)
where:
Base-Base interactions energy: -114.264
where: short stacking energy: -51.839
Base-Backbone interact. energy: -0.249
local terms energy: -49.598400
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -2.475
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -186.526090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.526090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.526090 (E_RNA)
where:
Base-Base interactions energy: -126.142
where: short stacking energy: -56.668
Base-Backbone interact. energy: -0.038
local terms energy: -60.345331
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -155.745258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.745258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.745258 (E_RNA)
where:
Base-Base interactions energy: -91.231
where: short stacking energy: -48.880
Base-Backbone interact. energy: -0.480
local terms energy: -64.034656
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -92.080283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.080283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.080283 (E_RNA)
where:
Base-Base interactions energy: -37.644
where: short stacking energy: -34.112
Base-Backbone interact. energy: -0.201
local terms energy: -54.235208
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -80.349302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.349302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.349302 (E_RNA)
where:
Base-Base interactions energy: -33.498
where: short stacking energy: -26.484
Base-Backbone interact. energy: -0.366
local terms energy: -46.484966
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -9.655
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -7.760
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: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -77.232777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.232777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.232777 (E_RNA)
where:
Base-Base interactions energy: -29.868
where: short stacking energy: -27.956
Base-Backbone interact. energy: -0.038
local terms energy: -47.326716
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -7.908
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -211.668067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.668067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.668067 (E_RNA)
where:
Base-Base interactions energy: -143.336
where: short stacking energy: -64.843
Base-Backbone interact. energy: -0.012
local terms energy: -68.319370
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -16.360
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: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -214.518771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.518771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.518771 (E_RNA)
where:
Base-Base interactions energy: -145.135
where: short stacking energy: -59.982
Base-Backbone interact. energy: 0.878
local terms energy: -70.261090
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -203.225335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.225335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.225335 (E_RNA)
where:
Base-Base interactions energy: -139.229
where: short stacking energy: -66.528
Base-Backbone interact. energy: 0.275
local terms energy: -64.271408
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -191.671010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.671010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.671010 (E_RNA)
where:
Base-Base interactions energy: -120.073
where: short stacking energy: -57.072
Base-Backbone interact. energy: -0.165
local terms energy: -71.432284
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -188.728805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.728805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.728805 (E_RNA)
where:
Base-Base interactions energy: -128.097
where: short stacking energy: -67.226
Base-Backbone interact. energy: -0.001
local terms energy: -60.630154
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -12.873
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: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -194.623562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.623562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.623562 (E_RNA)
where:
Base-Base interactions energy: -128.251
where: short stacking energy: -51.607
Base-Backbone interact. energy: -0.529
local terms energy: -65.843308
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -10.050
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: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -101.711029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.711029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.711029 (E_RNA)
where:
Base-Base interactions energy: -50.618
where: short stacking energy: -41.928
Base-Backbone interact. energy: -0.148
local terms energy: -50.944865
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -84.525899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.525899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.525899 (E_RNA)
where:
Base-Base interactions energy: -38.489
where: short stacking energy: -22.714
Base-Backbone interact. energy: -0.108
local terms energy: -45.929450
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -2.959
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -82.349778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349778 (E_RNA)
where:
Base-Base interactions energy: -26.899
where: short stacking energy: -26.899
Base-Backbone interact. energy: -0.266
local terms energy: -55.184539
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -81.417869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417869 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -26.289
Base-Backbone interact. energy: -0.097
local terms energy: -46.145808
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: 2.912
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: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -223.855877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.855877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.855877 (E_RNA)
where:
Base-Base interactions energy: -147.959
where: short stacking energy: -67.772
Base-Backbone interact. energy: -0.464
local terms energy: -75.433572
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -205.104177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.104177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.104177 (E_RNA)
where:
Base-Base interactions energy: -144.482
where: short stacking energy: -70.371
Base-Backbone interact. energy: -0.078
local terms energy: -60.543559
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -5.972
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: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -202.806625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.806625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.806625 (E_RNA)
where:
Base-Base interactions energy: -130.855
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.013
local terms energy: -71.937809
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -188.494687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.494687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.494687 (E_RNA)
where:
Base-Base interactions energy: -114.265
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.135
local terms energy: -74.094954
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -12.694
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: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -188.272333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.272333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.272333 (E_RNA)
where:
Base-Base interactions energy: -129.144
where: short stacking energy: -62.980
Base-Backbone interact. energy: -1.350
local terms energy: -57.777938
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -195.111187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.111187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.111187 (E_RNA)
where:
Base-Base interactions energy: -122.325
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.009
local terms energy: -72.777482
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -9.560
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: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -103.030477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.030477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.030477 (E_RNA)
where:
Base-Base interactions energy: -44.017
where: short stacking energy: -34.772
Base-Backbone interact. energy: -0.620
local terms energy: -58.393206
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -6.872
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: 8, replica: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -85.207239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.207239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.207239 (E_RNA)
where:
Base-Base interactions energy: -40.361
where: short stacking energy: -30.525
Base-Backbone interact. energy: -0.174
local terms energy: -44.672149
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -77.993370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.993370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.993370 (E_RNA)
where:
Base-Base interactions energy: -23.309
where: short stacking energy: -23.309
Base-Backbone interact. energy: -0.805
local terms energy: -53.878669
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -78.732238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.732238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.732238 (E_RNA)
where:
Base-Base interactions energy: -32.563
where: short stacking energy: -29.560
Base-Backbone interact. energy: -0.131
local terms energy: -46.038154
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -2.849
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -213.708318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.708318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.708318 (E_RNA)
where:
Base-Base interactions energy: -140.929
where: short stacking energy: -59.296
Base-Backbone interact. energy: -2.470
local terms energy: -70.309457
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -207.031030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.031030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.031030 (E_RNA)
where:
Base-Base interactions energy: -129.832
where: short stacking energy: -67.341
Base-Backbone interact. energy: -0.002
local terms energy: -77.197172
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -189.793368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.793368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.793368 (E_RNA)
where:
Base-Base interactions energy: -120.294
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.037
local terms energy: -69.462574
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -179.698052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.698052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.698052 (E_RNA)
where:
Base-Base interactions energy: -122.229
where: short stacking energy: -52.779
Base-Backbone interact. energy: -0.018
local terms energy: -57.450851
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -11.316
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: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -186.896115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.896115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.896115 (E_RNA)
where:
Base-Base interactions energy: -123.637
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.000
local terms energy: -63.258726
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -14.501
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: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -181.364768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.364768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.364768 (E_RNA)
where:
Base-Base interactions energy: -117.745
where: short stacking energy: -54.847
Base-Backbone interact. energy: -0.014
local terms energy: -63.606271
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -8.678
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: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -104.646951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.646951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.646951 (E_RNA)
where:
Base-Base interactions energy: -50.683
where: short stacking energy: -35.158
Base-Backbone interact. energy: -0.018
local terms energy: -53.946527
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -95.037535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.037535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.037535 (E_RNA)
where:
Base-Base interactions energy: -38.976
where: short stacking energy: -25.378
Base-Backbone interact. energy: 0.205
local terms energy: -56.266996
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -3.482
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: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -104.531227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.531227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.531227 (E_RNA)
where:
Base-Base interactions energy: -53.847
where: short stacking energy: -21.348
Base-Backbone interact. energy: 0.544
local terms energy: -51.228526
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: 4.235
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: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -80.758378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758378 (E_RNA)
where:
Base-Base interactions energy: -30.571
where: short stacking energy: -27.349
Base-Backbone interact. energy: -0.433
local terms energy: -49.753916
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -0.606
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: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -213.403030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.403030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.403030 (E_RNA)
where:
Base-Base interactions energy: -137.129
where: short stacking energy: -74.474
Base-Backbone interact. energy: -0.006
local terms energy: -76.267965
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.241
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: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -208.118323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.118323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.118323 (E_RNA)
where:
Base-Base interactions energy: -139.052
where: short stacking energy: -63.193
Base-Backbone interact. energy: 0.139
local terms energy: -69.204882
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.001
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: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -189.969178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.969178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.969178 (E_RNA)
where:
Base-Base interactions energy: -126.509
where: short stacking energy: -59.332
Base-Backbone interact. energy: -0.042
local terms energy: -63.418820
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -182.479116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.479116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.479116 (E_RNA)
where:
Base-Base interactions energy: -118.846
where: short stacking energy: -61.208
Base-Backbone interact. energy: -1.416
local terms energy: -62.216785
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -15.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -192.004583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.004583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.004583 (E_RNA)
where:
Base-Base interactions energy: -117.109
where: short stacking energy: -61.003
Base-Backbone interact. energy: -0.005
local terms energy: -74.890817
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -182.951688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.951688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.951688 (E_RNA)
where:
Base-Base interactions energy: -123.776
where: short stacking energy: -64.550
Base-Backbone interact. energy: -0.089
local terms energy: -59.086732
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -108.602259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.602259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.602259 (E_RNA)
where:
Base-Base interactions energy: -42.070
where: short stacking energy: -34.103
Base-Backbone interact. energy: -0.112
local terms energy: -66.420071
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -98.893965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.893965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.893965 (E_RNA)
where:
Base-Base interactions energy: -37.505
where: short stacking energy: -33.998
Base-Backbone interact. energy: -0.085
local terms energy: -61.303794
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -110.213764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.213764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.213764 (E_RNA)
where:
Base-Base interactions energy: -57.634
where: short stacking energy: -26.214
Base-Backbone interact. energy: 2.986
local terms energy: -55.565182
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -81.486929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.486929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.486929 (E_RNA)
where:
Base-Base interactions energy: -39.865
where: short stacking energy: -33.326
Base-Backbone interact. energy: -0.185
local terms energy: -41.437205
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -7.381
flat angles P-C4'-P energy: -2.157
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -207.892821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.892821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.892821 (E_RNA)
where:
Base-Base interactions energy: -137.632
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.003
local terms energy: -70.257355
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.705
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: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -214.658456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.658456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.658456 (E_RNA)
where:
Base-Base interactions energy: -148.528
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.004
local terms energy: -66.126947
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -14.898
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: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -195.647785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.647785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.647785 (E_RNA)
where:
Base-Base interactions energy: -129.804
where: short stacking energy: -61.432
Base-Backbone interact. energy: -0.008
local terms energy: -65.835704
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -195.097301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.097301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.097301 (E_RNA)
where:
Base-Base interactions energy: -127.053
where: short stacking energy: -68.956
Base-Backbone interact. energy: -0.010
local terms energy: -68.034629
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -17.177
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: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -190.377325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.377325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.377325 (E_RNA)
where:
Base-Base interactions energy: -132.884
where: short stacking energy: -59.392
Base-Backbone interact. energy: 0.171
local terms energy: -57.664159
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -176.282447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.282447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.282447 (E_RNA)
where:
Base-Base interactions energy: -115.755
where: short stacking energy: -50.035
Base-Backbone interact. energy: -0.018
local terms energy: -60.509579
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -132.090042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.090042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.090042 (E_RNA)
where:
Base-Base interactions energy: -78.182
where: short stacking energy: -43.623
Base-Backbone interact. energy: -0.019
local terms energy: -53.889276
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -102.737114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.737114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.737114 (E_RNA)
where:
Base-Base interactions energy: -55.335
where: short stacking energy: -28.587
Base-Backbone interact. energy: -1.522
local terms energy: -45.879877
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: 0.348
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: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -100.438401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.438401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.438401 (E_RNA)
where:
Base-Base interactions energy: -52.100
where: short stacking energy: -24.579
Base-Backbone interact. energy: -0.167
local terms energy: -48.171771
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: 0.143
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: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -82.923823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923823 (E_RNA)
where:
Base-Base interactions energy: -28.911
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.054
local terms energy: -53.958166
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -215.518449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.518449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.518449 (E_RNA)
where:
Base-Base interactions energy: -142.532
where: short stacking energy: -60.293
Base-Backbone interact. energy: -0.414
local terms energy: -72.572229
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -197.987152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.987152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.987152 (E_RNA)
where:
Base-Base interactions energy: -127.690
where: short stacking energy: -52.599
Base-Backbone interact. energy: -0.444
local terms energy: -69.853706
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -9.119
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: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -203.252140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.252140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.252140 (E_RNA)
where:
Base-Base interactions energy: -131.639
where: short stacking energy: -72.167
Base-Backbone interact. energy: -0.092
local terms energy: -71.520474
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -188.125577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.125577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.125577 (E_RNA)
where:
Base-Base interactions energy: -115.712
where: short stacking energy: -51.141
Base-Backbone interact. energy: -0.653
local terms energy: -71.760421
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -192.776199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.776199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.776199 (E_RNA)
where:
Base-Base interactions energy: -127.754
where: short stacking energy: -50.427
Base-Backbone interact. energy: 1.392
local terms energy: -66.414002
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -167.542702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.542702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.542702 (E_RNA)
where:
Base-Base interactions energy: -112.113
where: short stacking energy: -47.821
Base-Backbone interact. energy: -0.337
local terms energy: -55.092314
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -10.956
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: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -139.133691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.133691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.133691 (E_RNA)
where:
Base-Base interactions energy: -83.838
where: short stacking energy: -43.384
Base-Backbone interact. energy: -0.155
local terms energy: -55.140615
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -6.057
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: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -91.410289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.410289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.410289 (E_RNA)
where:
Base-Base interactions energy: -30.328
where: short stacking energy: -30.103
Base-Backbone interact. energy: -0.033
local terms energy: -61.049656
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -89.664912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.664912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.664912 (E_RNA)
where:
Base-Base interactions energy: -30.431
where: short stacking energy: -30.431
Base-Backbone interact. energy: 0.904
local terms energy: -60.138265
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -10.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -73.852419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.852419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.852419 (E_RNA)
where:
Base-Base interactions energy: -26.147
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.285
local terms energy: -47.419686
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -216.023903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.023903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.023903 (E_RNA)
where:
Base-Base interactions energy: -145.315
where: short stacking energy: -68.395
Base-Backbone interact. energy: 0.316
local terms energy: -71.025057
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -210.896055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.896055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.896055 (E_RNA)
where:
Base-Base interactions energy: -141.018
where: short stacking energy: -70.023
Base-Backbone interact. energy: -0.098
local terms energy: -69.779272
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -202.188603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.188603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.188603 (E_RNA)
where:
Base-Base interactions energy: -135.183
where: short stacking energy: -76.205
Base-Backbone interact. energy: -0.002
local terms energy: -67.002812
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -18.907
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: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -206.078243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.078243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.078243 (E_RNA)
where:
Base-Base interactions energy: -140.581
where: short stacking energy: -56.616
Base-Backbone interact. energy: -0.257
local terms energy: -65.239930
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -13.651
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: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -190.379807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.379807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.379807 (E_RNA)
where:
Base-Base interactions energy: -126.388
where: short stacking energy: -62.023
Base-Backbone interact. energy: -0.230
local terms energy: -63.761927
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -175.888690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.888690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.888690 (E_RNA)
where:
Base-Base interactions energy: -116.582
where: short stacking energy: -57.867
Base-Backbone interact. energy: -0.047
local terms energy: -59.259354
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -149.958766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.958766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.958766 (E_RNA)
where:
Base-Base interactions energy: -88.245
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.633
local terms energy: -61.081115
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -9.925
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: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -90.288927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.288927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.288927 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -25.946
Base-Backbone interact. energy: -0.136
local terms energy: -56.481671
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -87.149886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.149886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.149886 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -33.820
Base-Backbone interact. energy: 0.022
local terms energy: -53.352417
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -7.658
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -73.101588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.101588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.101588 (E_RNA)
where:
Base-Base interactions energy: -20.626
where: short stacking energy: -20.626
Base-Backbone interact. energy: -0.152
local terms energy: -52.323589
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -3.840
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: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -214.918538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.918538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.918538 (E_RNA)
where:
Base-Base interactions energy: -149.177
where: short stacking energy: -61.960
Base-Backbone interact. energy: -0.001
local terms energy: -65.740986
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -208.492080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.492080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.492080 (E_RNA)
where:
Base-Base interactions energy: -141.192
where: short stacking energy: -51.735
Base-Backbone interact. energy: -0.126
local terms energy: -67.173889
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -202.278262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.278262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.278262 (E_RNA)
where:
Base-Base interactions energy: -146.430
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.171
local terms energy: -55.677452
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -11.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -208.103335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.103335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.103335 (E_RNA)
where:
Base-Base interactions energy: -131.979
where: short stacking energy: -60.751
Base-Backbone interact. energy: -0.029
local terms energy: -76.095586
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -8.490
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: 5, replica: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -180.973235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.973235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.973235 (E_RNA)
where:
Base-Base interactions energy: -116.209
where: short stacking energy: -54.202
Base-Backbone interact. energy: -0.013
local terms energy: -64.751671
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -182.433369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.433369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.433369 (E_RNA)
where:
Base-Base interactions energy: -117.381
where: short stacking energy: -50.015
Base-Backbone interact. energy: -0.016
local terms energy: -65.035583
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -8.565
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: 98
Temperature: 1.200000
Total energy: -148.697367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.697367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.697367 (E_RNA)
where:
Base-Base interactions energy: -90.063
where: short stacking energy: -39.764
Base-Backbone interact. energy: 0.151
local terms energy: -58.785108
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -7.879
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: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -98.824037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.824037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.824037 (E_RNA)
where:
Base-Base interactions energy: -42.908
where: short stacking energy: -39.042
Base-Backbone interact. energy: -0.124
local terms energy: -55.791339
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -11.301
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -75.405593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.405593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.405593 (E_RNA)
where:
Base-Base interactions energy: -20.362
where: short stacking energy: -18.601
Base-Backbone interact. energy: -0.468
local terms energy: -54.575705
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -2.846
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: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -73.938045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.938045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.938045 (E_RNA)
where:
Base-Base interactions energy: -21.952
where: short stacking energy: -16.774
Base-Backbone interact. energy: 0.382
local terms energy: -52.368697
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -219.132882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.132882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.132882 (E_RNA)
where:
Base-Base interactions energy: -145.880
where: short stacking energy: -63.613
Base-Backbone interact. energy: -0.040
local terms energy: -73.213269
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.233
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -200.145850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.145850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.145850 (E_RNA)
where:
Base-Base interactions energy: -134.659
where: short stacking energy: -72.471
Base-Backbone interact. energy: -0.064
local terms energy: -65.423289
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -185.164143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.164143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.164143 (E_RNA)
where:
Base-Base interactions energy: -124.496
where: short stacking energy: -57.334
Base-Backbone interact. energy: 2.360
local terms energy: -63.028279
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -11.003
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: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -202.060540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.060540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.060540 (E_RNA)
where:
Base-Base interactions energy: -138.222
where: short stacking energy: -69.656
Base-Backbone interact. energy: 0.578
local terms energy: -64.415941
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -179.433816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.433816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.433816 (E_RNA)
where:
Base-Base interactions energy: -112.427
where: short stacking energy: -61.999
Base-Backbone interact. energy: 0.659
local terms energy: -67.665595
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -138.048766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.048766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.048766 (E_RNA)
where:
Base-Base interactions energy: -80.341
where: short stacking energy: -46.750
Base-Backbone interact. energy: -0.047
local terms energy: -57.660645
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -182.542705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.542705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.542705 (E_RNA)
where:
Base-Base interactions energy: -120.029
where: short stacking energy: -55.657
Base-Backbone interact. energy: -0.176
local terms energy: -62.337617
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -92.797196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.797196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.797196 (E_RNA)
where:
Base-Base interactions energy: -36.945
where: short stacking energy: -36.770
Base-Backbone interact. energy: -0.128
local terms energy: -55.723957
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -4.819
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: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -90.252246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.252246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.252246 (E_RNA)
where:
Base-Base interactions energy: -43.857
where: short stacking energy: -28.971
Base-Backbone interact. energy: -0.031
local terms energy: -46.364210
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -84.513981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.513981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.513981 (E_RNA)
where:
Base-Base interactions energy: -37.494
where: short stacking energy: -37.494
Base-Backbone interact. energy: 1.288
local terms energy: -48.307979
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -6.425
flat angles P-C4'-P energy: -6.553
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: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -219.560354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.560354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.560354 (E_RNA)
where:
Base-Base interactions energy: -144.996
where: short stacking energy: -65.140
Base-Backbone interact. energy: -1.005
local terms energy: -73.558796
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -9.857
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: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -195.603254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.603254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.603254 (E_RNA)
where:
Base-Base interactions energy: -126.091
where: short stacking energy: -61.829
Base-Backbone interact. energy: -0.044
local terms energy: -69.467932
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -202.207042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.207042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.207042 (E_RNA)
where:
Base-Base interactions energy: -133.802
where: short stacking energy: -74.561
Base-Backbone interact. energy: -0.002
local terms energy: -68.403635
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -8.411
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: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -213.576335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.576335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.576335 (E_RNA)
where:
Base-Base interactions energy: -145.233
where: short stacking energy: -58.760
Base-Backbone interact. energy: -0.186
local terms energy: -68.157286
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -148.078669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.078669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.078669 (E_RNA)
where:
Base-Base interactions energy: -90.015
where: short stacking energy: -40.264
Base-Backbone interact. energy: -0.300
local terms energy: -57.764191
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -174.237786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.237786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.237786 (E_RNA)
where:
Base-Base interactions energy: -113.259
where: short stacking energy: -52.225
Base-Backbone interact. energy: -0.049
local terms energy: -60.929894
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -169.665649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.665649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.665649 (E_RNA)
where:
Base-Base interactions energy: -109.952
where: short stacking energy: -47.972
Base-Backbone interact. energy: -0.110
local terms energy: -59.603764
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -84.499786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.499786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.499786 (E_RNA)
where:
Base-Base interactions energy: -35.158
where: short stacking energy: -35.158
Base-Backbone interact. energy: -0.563
local terms energy: -48.778849
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -101.763858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.763858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.763858 (E_RNA)
where:
Base-Base interactions energy: -54.043
where: short stacking energy: -36.738
Base-Backbone interact. energy: -0.112
local terms energy: -47.609228
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -8.797
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -82.928408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.928408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.928408 (E_RNA)
where:
Base-Base interactions energy: -32.392
where: short stacking energy: -32.392
Base-Backbone interact. energy: -1.196
local terms energy: -49.341343
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -7.165
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -217.618904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.618904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.618904 (E_RNA)
where:
Base-Base interactions energy: -144.813
where: short stacking energy: -54.983
Base-Backbone interact. energy: -1.587
local terms energy: -71.218805
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -10.357
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: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -199.390349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.390349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.390349 (E_RNA)
where:
Base-Base interactions energy: -128.525
where: short stacking energy: -65.395
Base-Backbone interact. energy: -0.711
local terms energy: -70.154147
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -189.325927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.325927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.325927 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.103
local terms energy: -66.855133
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.395
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: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -208.712791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.712791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.712791 (E_RNA)
where:
Base-Base interactions energy: -137.770
where: short stacking energy: -58.644
Base-Backbone interact. energy: -1.075
local terms energy: -69.867657
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -157.835142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.835142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.835142 (E_RNA)
where:
Base-Base interactions energy: -90.354
where: short stacking energy: -56.787
Base-Backbone interact. energy: -0.090
local terms energy: -67.390852
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -191.003709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.003709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.003709 (E_RNA)
where:
Base-Base interactions energy: -128.783
where: short stacking energy: -47.824
Base-Backbone interact. energy: -0.190
local terms energy: -62.031359
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -181.101175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.101175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.101175 (E_RNA)
where:
Base-Base interactions energy: -114.508
where: short stacking energy: -57.165
Base-Backbone interact. energy: -0.005
local terms energy: -66.588297
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -98.328909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.328909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.328909 (E_RNA)
where:
Base-Base interactions energy: -41.378
where: short stacking energy: -26.121
Base-Backbone interact. energy: -0.679
local terms energy: -56.272641
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -91.356025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.356025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.356025 (E_RNA)
where:
Base-Base interactions energy: -41.888
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.104
local terms energy: -49.364575
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -90.852221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.852221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.852221 (E_RNA)
where:
Base-Base interactions energy: -49.931
where: short stacking energy: -38.800
Base-Backbone interact. energy: 0.501
local terms energy: -41.421987
where:
bonds (distance) C4'-P energy: -5.318
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -208.790748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.790748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.790748 (E_RNA)
where:
Base-Base interactions energy: -136.383
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.310
local terms energy: -72.097804
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -215.942613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.942613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.942613 (E_RNA)
where:
Base-Base interactions energy: -143.506
where: short stacking energy: -62.713
Base-Backbone interact. energy: -0.862
local terms energy: -71.574891
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -219.080586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.080586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.080586 (E_RNA)
where:
Base-Base interactions energy: -146.931
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.002
local terms energy: -72.148090
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -9.663
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: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -185.781656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.781656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.781656 (E_RNA)
where:
Base-Base interactions energy: -118.004
where: short stacking energy: -68.081
Base-Backbone interact. energy: 0.341
local terms energy: -68.118964
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -14.078
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: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -184.315565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.315565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.315565 (E_RNA)
where:
Base-Base interactions energy: -114.576
where: short stacking energy: -58.856
Base-Backbone interact. energy: -0.004
local terms energy: -69.735763
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -15.447
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: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -131.079358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.079358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.079358 (E_RNA)
where:
Base-Base interactions energy: -71.717
where: short stacking energy: -39.665
Base-Backbone interact. energy: -0.257
local terms energy: -59.105890
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -178.153948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.153948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.153948 (E_RNA)
where:
Base-Base interactions energy: -106.705
where: short stacking energy: -53.161
Base-Backbone interact. energy: -0.009
local terms energy: -71.439985
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -86.102526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.102526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.102526 (E_RNA)
where:
Base-Base interactions energy: -37.685
where: short stacking energy: -18.808
Base-Backbone interact. energy: -0.802
local terms energy: -47.615402
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -1.111
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: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -89.174495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.174495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.174495 (E_RNA)
where:
Base-Base interactions energy: -32.500
where: short stacking energy: -30.839
Base-Backbone interact. energy: -0.010
local terms energy: -56.664910
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -84.342522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.342522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.342522 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -21.728
Base-Backbone interact. energy: -0.106
local terms energy: -51.187207
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -214.127863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.127863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.127863 (E_RNA)
where:
Base-Base interactions energy: -136.713
where: short stacking energy: -67.590
Base-Backbone interact. energy: -0.716
local terms energy: -76.698189
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.221
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: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -222.815930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.815930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.815930 (E_RNA)
where:
Base-Base interactions energy: -152.994
where: short stacking energy: -62.323
Base-Backbone interact. energy: 0.248
local terms energy: -70.070018
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -15.632
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: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -217.297982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.297982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.297982 (E_RNA)
where:
Base-Base interactions energy: -145.756
where: short stacking energy: -65.668
Base-Backbone interact. energy: -0.004
local terms energy: -71.537775
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -186.758313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.758313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.758313 (E_RNA)
where:
Base-Base interactions energy: -134.802
where: short stacking energy: -64.359
Base-Backbone interact. energy: -0.098
local terms energy: -51.858855
where:
bonds (distance) C4'-P energy: -4.646
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -12.680
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: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -191.078105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.078105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.078105 (E_RNA)
where:
Base-Base interactions energy: -117.149
where: short stacking energy: -60.489
Base-Backbone interact. energy: 0.339
local terms energy: -74.267551
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -171.659639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.659639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.659639 (E_RNA)
where:
Base-Base interactions energy: -111.423
where: short stacking energy: -47.301
Base-Backbone interact. energy: -0.127
local terms energy: -60.110050
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -112.503515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.503515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.503515 (E_RNA)
where:
Base-Base interactions energy: -60.035
where: short stacking energy: -31.795
Base-Backbone interact. energy: -0.330
local terms energy: -52.138316
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -83.863045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.863045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.863045 (E_RNA)
where:
Base-Base interactions energy: -31.104
where: short stacking energy: -29.534
Base-Backbone interact. energy: -0.203
local terms energy: -52.556411
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -86.573421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.573421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.573421 (E_RNA)
where:
Base-Base interactions energy: -40.579
where: short stacking energy: -28.774
Base-Backbone interact. energy: 1.734
local terms energy: -47.728212
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: 4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -82.452394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.452394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.452394 (E_RNA)
where:
Base-Base interactions energy: -34.961
where: short stacking energy: -13.847
Base-Backbone interact. energy: -0.393
local terms energy: -47.098428
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -228.406108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.406108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.406108 (E_RNA)
where:
Base-Base interactions energy: -157.953
where: short stacking energy: -64.433
Base-Backbone interact. energy: -0.772
local terms energy: -69.681253
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -4.728
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: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -197.461551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.461551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.461551 (E_RNA)
where:
Base-Base interactions energy: -128.095
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.698
local terms energy: -68.668253
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -218.874011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.874011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.874011 (E_RNA)
where:
Base-Base interactions energy: -151.816
where: short stacking energy: -67.761
Base-Backbone interact. energy: 3.138
local terms energy: -70.196077
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -10.349
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: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -206.421994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.421994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.421994 (E_RNA)
where:
Base-Base interactions energy: -135.021
where: short stacking energy: -71.143
Base-Backbone interact. energy: -0.026
local terms energy: -71.375242
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -180.900996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.900996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.900996 (E_RNA)
where:
Base-Base interactions energy: -113.531
where: short stacking energy: -57.538
Base-Backbone interact. energy: -0.285
local terms energy: -67.084544
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -174.576210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.576210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.576210 (E_RNA)
where:
Base-Base interactions energy: -115.658
where: short stacking energy: -52.616
Base-Backbone interact. energy: -0.164
local terms energy: -58.754774
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -81.160023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160023 (E_RNA)
where:
Base-Base interactions energy: -30.683
where: short stacking energy: -30.683
Base-Backbone interact. energy: -0.124
local terms energy: -50.353615
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -8.399
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -4.093
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: 104
Temperature: 1.250000
Total energy: -91.484906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.484906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.484906 (E_RNA)
where:
Base-Base interactions energy: -32.866
where: short stacking energy: -32.866
Base-Backbone interact. energy: -0.081
local terms energy: -58.538529
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -10.420
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: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -89.704599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.704599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.704599 (E_RNA)
where:
Base-Base interactions energy: -31.065
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.576
local terms energy: -58.064292
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -7.516
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: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -74.570430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.570430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.570430 (E_RNA)
where:
Base-Base interactions energy: -27.079
where: short stacking energy: -27.079
Base-Backbone interact. energy: -0.445
local terms energy: -47.046654
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -233.022339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.022339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.022339 (E_RNA)
where:
Base-Base interactions energy: -162.668
where: short stacking energy: -65.294
Base-Backbone interact. energy: -0.070
local terms energy: -70.284239
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -194.066605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.066605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.066605 (E_RNA)
where:
Base-Base interactions energy: -125.848
where: short stacking energy: -57.204
Base-Backbone interact. energy: -0.009
local terms energy: -68.209301
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -217.302351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.302351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.302351 (E_RNA)
where:
Base-Base interactions energy: -155.755
where: short stacking energy: -66.186
Base-Backbone interact. energy: -0.436
local terms energy: -61.111054
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -3.045
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: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -198.195088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.195088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.195088 (E_RNA)
where:
Base-Base interactions energy: -129.126
where: short stacking energy: -56.279
Base-Backbone interact. energy: 0.290
local terms energy: -69.359089
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -181.831799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.831799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.831799 (E_RNA)
where:
Base-Base interactions energy: -113.972
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.000
local terms energy: -67.859647
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -175.576247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.576247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.576247 (E_RNA)
where:
Base-Base interactions energy: -118.120
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.290
local terms energy: -57.166582
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -104.379118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.379118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.379118 (E_RNA)
where:
Base-Base interactions energy: -42.210
where: short stacking energy: -38.152
Base-Backbone interact. energy: 0.986
local terms energy: -63.155376
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -7.962
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: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -83.952934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.952934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.952934 (E_RNA)
where:
Base-Base interactions energy: -35.696
where: short stacking energy: -35.596
Base-Backbone interact. energy: -0.076
local terms energy: -48.180497
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -88.218022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.218022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.218022 (E_RNA)
where:
Base-Base interactions energy: -34.371
where: short stacking energy: -34.371
Base-Backbone interact. energy: -0.135
local terms energy: -53.711138
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -80.413967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.413967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.413967 (E_RNA)
where:
Base-Base interactions energy: -29.410
where: short stacking energy: -25.646
Base-Backbone interact. energy: -0.111
local terms energy: -50.893307
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -226.307223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.307223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.307223 (E_RNA)
where:
Base-Base interactions energy: -154.445
where: short stacking energy: -63.271
Base-Backbone interact. energy: -0.543
local terms energy: -71.319553
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -203.753369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.753369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.753369 (E_RNA)
where:
Base-Base interactions energy: -122.921
where: short stacking energy: -58.892
Base-Backbone interact. energy: -0.002
local terms energy: -80.830852
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -13.930
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: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -212.532100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.532100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.532100 (E_RNA)
where:
Base-Base interactions energy: -146.931
where: short stacking energy: -68.241
Base-Backbone interact. energy: -0.111
local terms energy: -65.490609
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -203.279710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.279710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.279710 (E_RNA)
where:
Base-Base interactions energy: -131.062
where: short stacking energy: -59.180
Base-Backbone interact. energy: -0.045
local terms energy: -72.172894
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -9.332
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: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -172.627241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.627241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.627241 (E_RNA)
where:
Base-Base interactions energy: -115.325
where: short stacking energy: -36.009
Base-Backbone interact. energy: -0.274
local terms energy: -57.027705
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -6.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -135.775326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.775326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.775326 (E_RNA)
where:
Base-Base interactions energy: -85.018
where: short stacking energy: -40.272
Base-Backbone interact. energy: 0.252
local terms energy: -51.009685
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -100.224790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.224790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.224790 (E_RNA)
where:
Base-Base interactions energy: -41.181
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.002
local terms energy: -59.041140
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -81.633305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.633305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.633305 (E_RNA)
where:
Base-Base interactions energy: -34.968
where: short stacking energy: -30.251
Base-Backbone interact. energy: -0.205
local terms energy: -46.461041
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -3.779
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: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -78.924536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.924536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.924536 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.098
local terms energy: -46.396832
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -82.333784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.333784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.333784 (E_RNA)
where:
Base-Base interactions energy: -31.985
where: short stacking energy: -28.105
Base-Backbone interact. energy: -0.192
local terms energy: -50.156604
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -2.424
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: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -237.309395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.309395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.309395 (E_RNA)
where:
Base-Base interactions energy: -163.605
where: short stacking energy: -66.896
Base-Backbone interact. energy: -0.091
local terms energy: -73.613127
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -216.960138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.960138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.960138 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -70.603
Base-Backbone interact. energy: -0.124
local terms energy: -63.388723
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -16.894
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: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -194.362475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.362475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.362475 (E_RNA)
where:
Base-Base interactions energy: -129.042
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.003
local terms energy: -65.317346
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -5.153
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: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -188.556565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.556565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.556565 (E_RNA)
where:
Base-Base interactions energy: -120.164
where: short stacking energy: -55.814
Base-Backbone interact. energy: -0.485
local terms energy: -67.907715
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -16.824
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: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -181.760109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.760109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.760109 (E_RNA)
where:
Base-Base interactions energy: -114.727
where: short stacking energy: -53.143
Base-Backbone interact. energy: -0.077
local terms energy: -66.955493
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -13.878
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: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -143.009514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.009514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.009514 (E_RNA)
where:
Base-Base interactions energy: -95.719
where: short stacking energy: -42.105
Base-Backbone interact. energy: -0.276
local terms energy: -47.015142
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -9.276
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -0.990
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: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -82.488444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.488444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.488444 (E_RNA)
where:
Base-Base interactions energy: -26.246
where: short stacking energy: -26.118
Base-Backbone interact. energy: -0.273
local terms energy: -55.968796
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -81.245873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.245873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.245873 (E_RNA)
where:
Base-Base interactions energy: -32.641
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.183
local terms energy: -48.422168
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -8.695
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -95.322740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.322740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.322740 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -32.705
Base-Backbone interact. energy: 2.353
local terms energy: -61.973759
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -80.038432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.038432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.038432 (E_RNA)
where:
Base-Base interactions energy: -31.057
where: short stacking energy: -27.244
Base-Backbone interact. energy: -0.168
local terms energy: -48.813903
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -233.879318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.879318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.879318 (E_RNA)
where:
Base-Base interactions energy: -161.650
where: short stacking energy: -68.771
Base-Backbone interact. energy: -0.365
local terms energy: -71.864406
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -18.592
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: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -217.878024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.878024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.878024 (E_RNA)
where:
Base-Base interactions energy: -141.988
where: short stacking energy: -61.993
Base-Backbone interact. energy: -0.027
local terms energy: -75.862743
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -197.757186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.757186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.757186 (E_RNA)
where:
Base-Base interactions energy: -128.066
where: short stacking energy: -64.803
Base-Backbone interact. energy: 0.615
local terms energy: -70.306570
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -183.668870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.668870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.668870 (E_RNA)
where:
Base-Base interactions energy: -117.106
where: short stacking energy: -59.300
Base-Backbone interact. energy: -0.112
local terms energy: -66.450820
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -178.311683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.311683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.311683 (E_RNA)
where:
Base-Base interactions energy: -121.093
where: short stacking energy: -58.286
Base-Backbone interact. energy: -0.099
local terms energy: -57.120538
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -4.803
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: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -134.143260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.143260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.143260 (E_RNA)
where:
Base-Base interactions energy: -74.625
where: short stacking energy: -39.799
Base-Backbone interact. energy: -0.045
local terms energy: -59.473675
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -85.523022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.523022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.523022 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -28.037
Base-Backbone interact. energy: -0.041
local terms energy: -52.861489
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -109.309458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.309458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.309458 (E_RNA)
where:
Base-Base interactions energy: -65.628
where: short stacking energy: -40.624
Base-Backbone interact. energy: -0.241
local terms energy: -43.440703
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -89.777130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.777130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.777130 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -34.567
Base-Backbone interact. energy: -0.239
local terms energy: -54.971715
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -5.926
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: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -79.779666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.779666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.779666 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -20.988
Base-Backbone interact. energy: -0.117
local terms energy: -43.796271
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -0.522
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: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -228.918987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.918987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.918987 (E_RNA)
where:
Base-Base interactions energy: -159.478
where: short stacking energy: -63.276
Base-Backbone interact. energy: -0.108
local terms energy: -69.332827
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -194.820146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.820146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.820146 (E_RNA)
where:
Base-Base interactions energy: -131.438
where: short stacking energy: -62.639
Base-Backbone interact. energy: 0.786
local terms energy: -64.168795
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -206.951136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.951136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.951136 (E_RNA)
where:
Base-Base interactions energy: -138.678
where: short stacking energy: -53.941
Base-Backbone interact. energy: -0.264
local terms energy: -68.008791
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -9.116
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: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -191.084342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.084342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.084342 (E_RNA)
where:
Base-Base interactions energy: -120.802
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.018
local terms energy: -70.264380
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.041
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: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -190.404555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.404555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.404555 (E_RNA)
where:
Base-Base interactions energy: -122.200
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.742
local terms energy: -67.463131
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -15.180
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: 109
Temperature: 1.150000
Total energy: -166.544472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.544472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.544472 (E_RNA)
where:
Base-Base interactions energy: -113.469
where: short stacking energy: -38.425
Base-Backbone interact. energy: -1.337
local terms energy: -51.738086
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -9.142
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: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -92.630646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.630646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.630646 (E_RNA)
where:
Base-Base interactions energy: -46.501
where: short stacking energy: -25.399
Base-Backbone interact. energy: 0.097
local terms energy: -46.226676
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -94.734672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.734672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.734672 (E_RNA)
where:
Base-Base interactions energy: -43.642
where: short stacking energy: -29.749
Base-Backbone interact. energy: -0.165
local terms energy: -50.927790
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -13.365
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: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -77.461689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.461689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.461689 (E_RNA)
where:
Base-Base interactions energy: -28.413
where: short stacking energy: -28.413
Base-Backbone interact. energy: -0.120
local terms energy: -48.927903
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -1.418
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: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -71.950965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.950965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.950965 (E_RNA)
where:
Base-Base interactions energy: -24.716
where: short stacking energy: -24.716
Base-Backbone interact. energy: -0.099
local terms energy: -47.135795
where:
bonds (distance) C4'-P energy: -6.447
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -234.630163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.630163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.630163 (E_RNA)
where:
Base-Base interactions energy: -156.827
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.150
local terms energy: -77.653293
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -19.437
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: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -195.842038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.842038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.842038 (E_RNA)
where:
Base-Base interactions energy: -128.395
where: short stacking energy: -67.431
Base-Backbone interact. energy: 1.239
local terms energy: -68.686375
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -9.979
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: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -207.113328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.113328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.113328 (E_RNA)
where:
Base-Base interactions energy: -143.148
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.361
local terms energy: -63.604751
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -187.898708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.898708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.898708 (E_RNA)
where:
Base-Base interactions energy: -113.150
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.119
local terms energy: -74.629672
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.160
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: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -177.321618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.321618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.321618 (E_RNA)
where:
Base-Base interactions energy: -108.450
where: short stacking energy: -44.176
Base-Backbone interact. energy: -0.001
local terms energy: -68.870887
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -181.240188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.240188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.240188 (E_RNA)
where:
Base-Base interactions energy: -113.280
where: short stacking energy: -50.578
Base-Backbone interact. energy: -0.912
local terms energy: -67.048210
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.227
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: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -88.918976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.918976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.918976 (E_RNA)
where:
Base-Base interactions energy: -29.851
where: short stacking energy: -28.997
Base-Backbone interact. energy: 1.250
local terms energy: -60.317931
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -88.120262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.120262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.120262 (E_RNA)
where:
Base-Base interactions energy: -28.002
where: short stacking energy: -22.046
Base-Backbone interact. energy: -0.300
local terms energy: -59.818625
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -85.642859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.642859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.642859 (E_RNA)
where:
Base-Base interactions energy: -36.423
where: short stacking energy: -22.422
Base-Backbone interact. energy: -0.401
local terms energy: -48.818909
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -1.564
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: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -70.616614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.616614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.616614 (E_RNA)
where:
Base-Base interactions energy: -30.652
where: short stacking energy: -29.514
Base-Backbone interact. energy: -0.180
local terms energy: -39.784339
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -4.742
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: 1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -233.089930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.089930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.089930 (E_RNA)
where:
Base-Base interactions energy: -160.746
where: short stacking energy: -66.260
Base-Backbone interact. energy: 0.210
local terms energy: -72.553941
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -17.453
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: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -209.531486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.531486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.531486 (E_RNA)
where:
Base-Base interactions energy: -142.031
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.732
local terms energy: -66.769042
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -196.096649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.096649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.096649 (E_RNA)
where:
Base-Base interactions energy: -126.651
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.007
local terms energy: -69.438752
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -194.336603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.336603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.336603 (E_RNA)
where:
Base-Base interactions energy: -129.121
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.089
local terms energy: -65.126792
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -9.304
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: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -189.612735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.612735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.612735 (E_RNA)
where:
Base-Base interactions energy: -121.175
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.107
local terms energy: -68.330745
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -169.721908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.721908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.721908 (E_RNA)
where:
Base-Base interactions energy: -112.617
where: short stacking energy: -48.618
Base-Backbone interact. energy: -0.150
local terms energy: -56.954747
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -6.554
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: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -104.787261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.787261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.787261 (E_RNA)
where:
Base-Base interactions energy: -46.719
where: short stacking energy: -45.380
Base-Backbone interact. energy: -0.007
local terms energy: -58.061613
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -89.743846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.743846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.743846 (E_RNA)
where:
Base-Base interactions energy: -39.648
where: short stacking energy: -39.648
Base-Backbone interact. energy: -0.250
local terms energy: -49.845958
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -105.907918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.907918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.907918 (E_RNA)
where:
Base-Base interactions energy: -52.248
where: short stacking energy: -28.113
Base-Backbone interact. energy: 0.701
local terms energy: -54.361134
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -84.248048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.248048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.248048 (E_RNA)
where:
Base-Base interactions energy: -30.535
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.102
local terms energy: -53.611705
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -2.668
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: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -211.613228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.613228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.613228 (E_RNA)
where:
Base-Base interactions energy: -144.967
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.284
local terms energy: -66.361894
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.451
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: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -226.467960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.467960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.467960 (E_RNA)
where:
Base-Base interactions energy: -153.060
where: short stacking energy: -61.569
Base-Backbone interact. energy: -0.081
local terms energy: -73.327111
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -188.988741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.988741 (E_RNA)
where:
Base-Base interactions energy: -119.569
where: short stacking energy: -62.032
Base-Backbone interact. energy: -0.008
local terms energy: -69.411041
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -185.394793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.394793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.394793 (E_RNA)
where:
Base-Base interactions energy: -120.837
where: short stacking energy: -63.453
Base-Backbone interact. energy: -0.239
local terms energy: -64.318381
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -5.130
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: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -192.759690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.759690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.759690 (E_RNA)
where:
Base-Base interactions energy: -123.983
where: short stacking energy: -62.449
Base-Backbone interact. energy: -0.004
local terms energy: -68.772823
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -178.654995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.654995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.654995 (E_RNA)
where:
Base-Base interactions energy: -108.731
where: short stacking energy: -48.756
Base-Backbone interact. energy: -0.101
local terms energy: -69.823244
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -105.263601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.263601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.263601 (E_RNA)
where:
Base-Base interactions energy: -55.289
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.007
local terms energy: -49.967402
where:
bonds (distance) C4'-P energy: -6.379
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -98.385430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.385430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.385430 (E_RNA)
where:
Base-Base interactions energy: -39.457
where: short stacking energy: -35.123
Base-Backbone interact. energy: 0.061
local terms energy: -58.988988
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -2.762
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: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -77.199205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.199205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.199205 (E_RNA)
where:
Base-Base interactions energy: -27.430
where: short stacking energy: -23.492
Base-Backbone interact. energy: -0.169
local terms energy: -49.601131
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -89.269615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.269615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.269615 (E_RNA)
where:
Base-Base interactions energy: -44.639
where: short stacking energy: -29.272
Base-Backbone interact. energy: -0.152
local terms energy: -44.479477
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -5.821
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -215.089569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.089569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.089569 (E_RNA)
where:
Base-Base interactions energy: -159.435
where: short stacking energy: -60.004
Base-Backbone interact. energy: -0.139
local terms energy: -55.515640
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -214.561509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.561509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.561509 (E_RNA)
where:
Base-Base interactions energy: -144.341
where: short stacking energy: -64.118
Base-Backbone interact. energy: -0.226
local terms energy: -69.994877
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -204.326321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.326321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.326321 (E_RNA)
where:
Base-Base interactions energy: -132.411
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.631
local terms energy: -71.284213
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -10.167
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: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -192.869701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.869701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.869701 (E_RNA)
where:
Base-Base interactions energy: -125.589
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.053
local terms energy: -67.227521
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -15.171
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: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -186.086790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.086790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.086790 (E_RNA)
where:
Base-Base interactions energy: -119.582
where: short stacking energy: -57.740
Base-Backbone interact. energy: -0.598
local terms energy: -65.906851
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -180.521181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.521181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.521181 (E_RNA)
where:
Base-Base interactions energy: -123.941
where: short stacking energy: -46.020
Base-Backbone interact. energy: 0.051
local terms energy: -56.630461
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -102.433501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.433501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.433501 (E_RNA)
where:
Base-Base interactions energy: -47.908
where: short stacking energy: -32.249
Base-Backbone interact. energy: -0.605
local terms energy: -53.919734
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -3.641
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: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -95.291465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.291465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.291465 (E_RNA)
where:
Base-Base interactions energy: -40.554
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.074
local terms energy: -54.663325
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -2.186
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: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -83.195681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.195681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.195681 (E_RNA)
where:
Base-Base interactions energy: -26.606
where: short stacking energy: -26.906
Base-Backbone interact. energy: -0.256
local terms energy: -56.334009
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -3.723
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: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -86.791294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.791294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.791294 (E_RNA)
where:
Base-Base interactions energy: -38.949
where: short stacking energy: -33.750
Base-Backbone interact. energy: 0.210
local terms energy: -48.052762
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -218.978133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.978133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.978133 (E_RNA)
where:
Base-Base interactions energy: -151.712
where: short stacking energy: -50.285
Base-Backbone interact. energy: 0.314
local terms energy: -67.579352
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -215.765549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.765549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.765549 (E_RNA)
where:
Base-Base interactions energy: -140.800
where: short stacking energy: -66.545
Base-Backbone interact. energy: 0.096
local terms energy: -75.062216
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -12.385
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: 114
Temperature: 1.000000
Total energy: -201.340415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.340415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.340415 (E_RNA)
where:
Base-Base interactions energy: -137.104
where: short stacking energy: -69.710
Base-Backbone interact. energy: 0.569
local terms energy: -64.805198
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -206.226554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.226554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.226554 (E_RNA)
where:
Base-Base interactions energy: -137.483
where: short stacking energy: -50.867
Base-Backbone interact. energy: -0.564
local terms energy: -68.179632
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -195.057493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.057493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.057493 (E_RNA)
where:
Base-Base interactions energy: -129.717
where: short stacking energy: -58.699
Base-Backbone interact. energy: 1.822
local terms energy: -67.162406
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -9.511
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: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -177.714962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.714962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.714962 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -51.749
Base-Backbone interact. energy: -0.618
local terms energy: -60.996051
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -106.031977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.031977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.031977 (E_RNA)
where:
Base-Base interactions energy: -57.067
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.311
local terms energy: -48.654178
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -79.951578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.951578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.951578 (E_RNA)
where:
Base-Base interactions energy: -31.211
where: short stacking energy: -28.893
Base-Backbone interact. energy: -0.267
local terms energy: -48.472847
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -5.119
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: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -80.932160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.932160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.932160 (E_RNA)
where:
Base-Base interactions energy: -40.345
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.611
local terms energy: -39.976086
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -7.113
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -73.710634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.710634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.710634 (E_RNA)
where:
Base-Base interactions energy: -28.709
where: short stacking energy: -28.709
Base-Backbone interact. energy: -0.128
local terms energy: -44.873544
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -7.527
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -208.130401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.130401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.130401 (E_RNA)
where:
Base-Base interactions energy: -136.312
where: short stacking energy: -58.411
Base-Backbone interact. energy: 0.091
local terms energy: -71.909611
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -213.671360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.671360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.671360 (E_RNA)
where:
Base-Base interactions energy: -146.280
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.122
local terms energy: -67.268653
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -200.126206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.126206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.126206 (E_RNA)
where:
Base-Base interactions energy: -130.525
where: short stacking energy: -62.170
Base-Backbone interact. energy: 0.610
local terms energy: -70.211203
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -202.958495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.958495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.958495 (E_RNA)
where:
Base-Base interactions energy: -138.403
where: short stacking energy: -50.249
Base-Backbone interact. energy: -0.559
local terms energy: -63.995943
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -14.001
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: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -191.185467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.185467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.185467 (E_RNA)
where:
Base-Base interactions energy: -124.794
where: short stacking energy: -66.504
Base-Backbone interact. energy: -0.001
local terms energy: -66.390661
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -9.226
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -12.931
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: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -136.550884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.550884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.550884 (E_RNA)
where:
Base-Base interactions energy: -74.777
where: short stacking energy: -44.845
Base-Backbone interact. energy: -0.132
local terms energy: -61.641819
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -181.951119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.951119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.951119 (E_RNA)
where:
Base-Base interactions energy: -122.416
where: short stacking energy: -41.589
Base-Backbone interact. energy: -0.386
local terms energy: -59.148878
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -10.735
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: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -94.157886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.157886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.157886 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -27.715
Base-Backbone interact. energy: -1.268
local terms energy: -56.629845
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -3.302
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: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -73.855941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.855941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.855941 (E_RNA)
where:
Base-Base interactions energy: -27.782
where: short stacking energy: -27.739
Base-Backbone interact. energy: -0.333
local terms energy: -45.741418
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -7.043
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: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -78.760843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.760843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.760843 (E_RNA)
where:
Base-Base interactions energy: -34.782
where: short stacking energy: -30.329
Base-Backbone interact. energy: 0.179
local terms energy: -44.158068
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -2.509
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: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -220.852873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.852873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.852873 (E_RNA)
where:
Base-Base interactions energy: -149.053
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.114
local terms energy: -71.685786
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -6.758
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: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -216.274353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.274353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.274353 (E_RNA)
where:
Base-Base interactions energy: -153.064
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.152
local terms energy: -63.058159
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -202.025453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.025453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.025453 (E_RNA)
where:
Base-Base interactions energy: -129.270
where: short stacking energy: -67.761
Base-Backbone interact. energy: -0.002
local terms energy: -72.753425
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -194.929528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.929528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.929528 (E_RNA)
where:
Base-Base interactions energy: -124.671
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.042
local terms energy: -70.216253
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -19.074
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: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -180.791446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.791446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.791446 (E_RNA)
where:
Base-Base interactions energy: -113.615
where: short stacking energy: -49.422
Base-Backbone interact. energy: -0.038
local terms energy: -67.138546
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -185.527110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.527110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.527110 (E_RNA)
where:
Base-Base interactions energy: -121.975
where: short stacking energy: -65.941
Base-Backbone interact. energy: 0.067
local terms energy: -63.619644
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -4.763
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: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -189.048500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.048500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.048500 (E_RNA)
where:
Base-Base interactions energy: -130.170
where: short stacking energy: -48.632
Base-Backbone interact. energy: -0.624
local terms energy: -58.254141
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -8.260
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: 116
Temperature: 1.250000
Total energy: -88.877779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.877779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.877779 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -39.615
Base-Backbone interact. energy: 0.869
local terms energy: -50.131875
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -82.789011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.789011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.789011 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -26.922
Base-Backbone interact. energy: -0.108
local terms energy: -54.336783
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -77.746922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.746922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.746922 (E_RNA)
where:
Base-Base interactions energy: -23.596
where: short stacking energy: -23.596
Base-Backbone interact. energy: -0.194
local terms energy: -53.957215
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -221.293009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.293009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.293009 (E_RNA)
where:
Base-Base interactions energy: -144.196
where: short stacking energy: -61.671
Base-Backbone interact. energy: -1.574
local terms energy: -75.522345
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -9.540
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: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -210.399700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.399700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399700 (E_RNA)
where:
Base-Base interactions energy: -135.747
where: short stacking energy: -58.431
Base-Backbone interact. energy: -0.165
local terms energy: -74.487207
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -210.919986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.919986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.919986 (E_RNA)
where:
Base-Base interactions energy: -142.744
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.998
local terms energy: -67.177482
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -195.779322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.779322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.779322 (E_RNA)
where:
Base-Base interactions energy: -134.991
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.029
local terms energy: -60.759921
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -12.995
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: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -190.074657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.074657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.074657 (E_RNA)
where:
Base-Base interactions energy: -129.068
where: short stacking energy: -58.622
Base-Backbone interact. energy: -0.163
local terms energy: -60.844251
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -12.861
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: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -182.645540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.645540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.645540 (E_RNA)
where:
Base-Base interactions energy: -121.886
where: short stacking energy: -51.946
Base-Backbone interact. energy: -0.096
local terms energy: -60.663446
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -9.347
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: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -177.096699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.096699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.096699 (E_RNA)
where:
Base-Base interactions energy: -116.830
where: short stacking energy: -47.950
Base-Backbone interact. energy: 3.904
local terms energy: -64.171502
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -5.202
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: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -92.386669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.386669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.386669 (E_RNA)
where:
Base-Base interactions energy: -33.083
where: short stacking energy: -32.489
Base-Backbone interact. energy: -0.104
local terms energy: -59.199911
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -7.264
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: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -112.748614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.748614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.748614 (E_RNA)
where:
Base-Base interactions energy: -74.674
where: short stacking energy: -34.748
Base-Backbone interact. energy: -0.239
local terms energy: -37.835363
where:
bonds (distance) C4'-P energy: -6.902
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: 0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -79.898709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.898709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.898709 (E_RNA)
where:
Base-Base interactions energy: -30.217
where: short stacking energy: -28.535
Base-Backbone interact. energy: -0.041
local terms energy: -49.640907
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -228.872904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.872904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.872904 (E_RNA)
where:
Base-Base interactions energy: -156.352
where: short stacking energy: -70.890
Base-Backbone interact. energy: -0.154
local terms energy: -72.367270
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -213.823339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.823339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.823339 (E_RNA)
where:
Base-Base interactions energy: -146.296
where: short stacking energy: -61.599
Base-Backbone interact. energy: -0.696
local terms energy: -66.831480
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -186.823319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.823319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.823319 (E_RNA)
where:
Base-Base interactions energy: -117.831
where: short stacking energy: -48.438
Base-Backbone interact. energy: -0.116
local terms energy: -68.876582
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -15.895
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: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -206.064145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.064145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.064145 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -67.022
Base-Backbone interact. energy: 1.663
local terms energy: -68.985570
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -183.821646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.821646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.821646 (E_RNA)
where:
Base-Base interactions energy: -120.122
where: short stacking energy: -54.040
Base-Backbone interact. energy: -0.086
local terms energy: -63.614513
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -8.925
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: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -176.832057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.832057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.832057 (E_RNA)
where:
Base-Base interactions energy: -113.781
where: short stacking energy: -58.703
Base-Backbone interact. energy: -0.040
local terms energy: -63.011273
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -175.026180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.026180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.026180 (E_RNA)
where:
Base-Base interactions energy: -113.180
where: short stacking energy: -52.233
Base-Backbone interact. energy: -0.186
local terms energy: -61.660567
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -10.790
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: 3
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -80.687214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.687214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.687214 (E_RNA)
where:
Base-Base interactions energy: -31.958
where: short stacking energy: -18.988
Base-Backbone interact. energy: 0.378
local terms energy: -49.107866
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -88.609718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.609718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.609718 (E_RNA)
where:
Base-Base interactions energy: -34.608
where: short stacking energy: -29.139
Base-Backbone interact. energy: -0.430
local terms energy: -53.571695
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -4.074
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: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -75.699899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.699899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.699899 (E_RNA)
where:
Base-Base interactions energy: -28.694
where: short stacking energy: -28.068
Base-Backbone interact. energy: 1.332
local terms energy: -48.338161
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -228.666045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.666045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.666045 (E_RNA)
where:
Base-Base interactions energy: -152.209
where: short stacking energy: -54.561
Base-Backbone interact. energy: -0.488
local terms energy: -75.968193
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -18.603
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: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -196.394635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.394635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.394635 (E_RNA)
where:
Base-Base interactions energy: -137.470
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.494
local terms energy: -58.430289
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -2.645
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: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -210.841704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.841704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.841704 (E_RNA)
where:
Base-Base interactions energy: -143.212
where: short stacking energy: -73.093
Base-Backbone interact. energy: -0.037
local terms energy: -67.592774
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -208.861010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.861010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.861010 (E_RNA)
where:
Base-Base interactions energy: -141.985
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.497
local terms energy: -66.378132
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -13.200
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: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -181.321560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.321560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.321560 (E_RNA)
where:
Base-Base interactions energy: -123.427
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.758
local terms energy: -57.136209
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -175.002905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.002905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.002905 (E_RNA)
where:
Base-Base interactions energy: -111.446
where: short stacking energy: -49.890
Base-Backbone interact. energy: -0.100
local terms energy: -63.455964
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -183.550604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.550604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.550604 (E_RNA)
where:
Base-Base interactions energy: -121.395
where: short stacking energy: -59.481
Base-Backbone interact. energy: 0.100
local terms energy: -62.255312
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -12.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -94.635807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.635807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.635807 (E_RNA)
where:
Base-Base interactions energy: -48.180
where: short stacking energy: -34.908
Base-Backbone interact. energy: -0.371
local terms energy: -46.084387
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -83.168016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.168016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.168016 (E_RNA)
where:
Base-Base interactions energy: -32.968
where: short stacking energy: -29.274
Base-Backbone interact. energy: -0.082
local terms energy: -50.117787
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -87.516768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.516768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.516768 (E_RNA)
where:
Base-Base interactions energy: -43.608
where: short stacking energy: -19.867
Base-Backbone interact. energy: -0.045
local terms energy: -43.863731
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -1.392
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: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -220.324821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.324821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.324821 (E_RNA)
where:
Base-Base interactions energy: -146.847
where: short stacking energy: -62.161
Base-Backbone interact. energy: -1.200
local terms energy: -72.278439
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -200.851938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.851938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.851938 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -65.441
Base-Backbone interact. energy: -0.002
local terms energy: -75.681634
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -11.931
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: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -216.237792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.237792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.237792 (E_RNA)
where:
Base-Base interactions energy: -149.205
where: short stacking energy: -67.099
Base-Backbone interact. energy: -0.985
local terms energy: -66.048308
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -203.258251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.258251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.258251 (E_RNA)
where:
Base-Base interactions energy: -137.876
where: short stacking energy: -58.174
Base-Backbone interact. energy: -0.081
local terms energy: -65.301209
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.894
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: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -171.003759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.003759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.003759 (E_RNA)
where:
Base-Base interactions energy: -110.135
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.172
local terms energy: -60.697047
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -184.542178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.542178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.542178 (E_RNA)
where:
Base-Base interactions energy: -114.521
where: short stacking energy: -56.026
Base-Backbone interact. energy: -0.055
local terms energy: -69.965513
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -186.895440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.895440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.895440 (E_RNA)
where:
Base-Base interactions energy: -121.449
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.180
local terms energy: -65.265918
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -10.289
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: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -93.325305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.325305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.325305 (E_RNA)
where:
Base-Base interactions energy: -51.214
where: short stacking energy: -40.249
Base-Backbone interact. energy: -0.269
local terms energy: -41.841665
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -81.790498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.790498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.790498 (E_RNA)
where:
Base-Base interactions energy: -29.852
where: short stacking energy: -29.323
Base-Backbone interact. energy: -0.012
local terms energy: -51.926783
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -6.509
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: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -83.383408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.383408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.383408 (E_RNA)
where:
Base-Base interactions energy: -37.122
where: short stacking energy: -31.669
Base-Backbone interact. energy: -0.301
local terms energy: -45.960533
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -224.367926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.367926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.367926 (E_RNA)
where:
Base-Base interactions energy: -146.232
where: short stacking energy: -64.663
Base-Backbone interact. energy: -0.578
local terms energy: -77.558246
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -12.896
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: 2, replica: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -219.124077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.124077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.124077 (E_RNA)
where:
Base-Base interactions energy: -152.233
where: short stacking energy: -64.195
Base-Backbone interact. energy: -0.354
local terms energy: -66.537355
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -11.103
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: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -195.975747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.975747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.975747 (E_RNA)
where:
Base-Base interactions energy: -129.390
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.008
local terms energy: -66.578093
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -8.981
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: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -190.697428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.697428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.697428 (E_RNA)
where:
Base-Base interactions energy: -125.568
where: short stacking energy: -59.992
Base-Backbone interact. energy: 2.118
local terms energy: -67.246658
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -8.616
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: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -176.004094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.004094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.004094 (E_RNA)
where:
Base-Base interactions energy: -121.979
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.217
local terms energy: -53.807354
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -184.554392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.554392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.554392 (E_RNA)
where:
Base-Base interactions energy: -128.470
where: short stacking energy: -43.619
Base-Backbone interact. energy: -0.949
local terms energy: -55.135068
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -98.597219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.597219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.597219 (E_RNA)
where:
Base-Base interactions energy: -49.432
where: short stacking energy: -45.171
Base-Backbone interact. energy: -0.014
local terms energy: -49.151148
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -111.499257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.499257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.499257 (E_RNA)
where:
Base-Base interactions energy: -56.089
where: short stacking energy: -30.389
Base-Backbone interact. energy: -0.104
local terms energy: -55.306488
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -5.936
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: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -71.485585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.485585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.485585 (E_RNA)
where:
Base-Base interactions energy: -20.347
where: short stacking energy: -21.147
Base-Backbone interact. energy: 0.388
local terms energy: -51.527026
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -79.017335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.017335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.017335 (E_RNA)
where:
Base-Base interactions energy: -26.868
where: short stacking energy: -26.868
Base-Backbone interact. energy: 0.671
local terms energy: -52.820421
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -219.449741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.449741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.449741 (E_RNA)
where:
Base-Base interactions energy: -143.076
where: short stacking energy: -58.885
Base-Backbone interact. energy: -1.651
local terms energy: -74.723184
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -218.110536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.110536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.110536 (E_RNA)
where:
Base-Base interactions energy: -153.998
where: short stacking energy: -68.706
Base-Backbone interact. energy: -0.033
local terms energy: -64.079371
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -198.064205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.064205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.064205 (E_RNA)
where:
Base-Base interactions energy: -125.172
where: short stacking energy: -67.071
Base-Backbone interact. energy: -1.498
local terms energy: -71.394320
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -195.806125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.806125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.806125 (E_RNA)
where:
Base-Base interactions energy: -123.859
where: short stacking energy: -66.181
Base-Backbone interact. energy: -0.001
local terms energy: -71.946061
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -185.819138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.819138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.819138 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -46.578
Base-Backbone interact. energy: 1.966
local terms energy: -59.272371
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -174.096418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.096418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.096418 (E_RNA)
where:
Base-Base interactions energy: -110.772
where: short stacking energy: -50.879
Base-Backbone interact. energy: 1.424
local terms energy: -64.748152
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -14.631
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: 122
Temperature: 1.200000
Total energy: -97.059018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.059018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.059018 (E_RNA)
where:
Base-Base interactions energy: -51.993
where: short stacking energy: -23.718
Base-Backbone interact. energy: -0.256
local terms energy: -44.809852
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: 1.853
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: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -91.494897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.494897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.494897 (E_RNA)
where:
Base-Base interactions energy: -40.406
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.124
local terms energy: -50.964908
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -4.047
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: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -76.406927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.406927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.406927 (E_RNA)
where:
Base-Base interactions energy: -30.440
where: short stacking energy: -30.440
Base-Backbone interact. energy: 1.924
local terms energy: -47.890216
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -6.207
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: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -82.923782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923782 (E_RNA)
where:
Base-Base interactions energy: -36.555
where: short stacking energy: -34.302
Base-Backbone interact. energy: -0.281
local terms energy: -46.087930
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -8.642
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -4.991
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: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -204.298373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.298373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.298373 (E_RNA)
where:
Base-Base interactions energy: -134.155
where: short stacking energy: -57.240
Base-Backbone interact. energy: 0.115
local terms energy: -70.258602
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -214.062282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.062282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.062282 (E_RNA)
where:
Base-Base interactions energy: -146.564
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.533
local terms energy: -66.965335
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -16.646
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: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -201.273255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.273255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.273255 (E_RNA)
where:
Base-Base interactions energy: -128.862
where: short stacking energy: -62.151
Base-Backbone interact. energy: -0.180
local terms energy: -72.230963
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -9.362
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: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -201.621935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.621935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.621935 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -50.450
Base-Backbone interact. energy: -0.158
local terms energy: -53.896809
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -4.103
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -186.272680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.272680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.272680 (E_RNA)
where:
Base-Base interactions energy: -113.596
where: short stacking energy: -55.275
Base-Backbone interact. energy: -0.301
local terms energy: -72.374889
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -171.586788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.586788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.586788 (E_RNA)
where:
Base-Base interactions energy: -108.892
where: short stacking energy: -47.787
Base-Backbone interact. energy: -0.013
local terms energy: -62.681977
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -112.145850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.145850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.145850 (E_RNA)
where:
Base-Base interactions energy: -61.394
where: short stacking energy: -39.398
Base-Backbone interact. energy: 0.803
local terms energy: -51.554446
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -85.551583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.551583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.551583 (E_RNA)
where:
Base-Base interactions energy: -41.241
where: short stacking energy: -37.034
Base-Backbone interact. energy: -0.202
local terms energy: -44.108155
where:
bonds (distance) C4'-P energy: -8.047
bonds (distance) P-C4' energy: -8.709
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -5.887
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: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -84.047688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.047688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.047688 (E_RNA)
where:
Base-Base interactions energy: -29.214
where: short stacking energy: -27.089
Base-Backbone interact. energy: -0.152
local terms energy: -54.682427
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -83.240348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.240348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.240348 (E_RNA)
where:
Base-Base interactions energy: -33.038
where: short stacking energy: -30.572
Base-Backbone interact. energy: -0.403
local terms energy: -49.799181
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -217.136932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.136932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.136932 (E_RNA)
where:
Base-Base interactions energy: -145.805
where: short stacking energy: -58.773
Base-Backbone interact. energy: -0.726
local terms energy: -70.605948
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -15.174
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: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -203.925730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.925730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.925730 (E_RNA)
where:
Base-Base interactions energy: -127.458
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.042
local terms energy: -76.425197
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -7.906
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: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -201.855506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.855506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.855506 (E_RNA)
where:
Base-Base interactions energy: -137.225
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.117
local terms energy: -64.513700
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -4.960
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: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -191.938015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.938015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.938015 (E_RNA)
where:
Base-Base interactions energy: -127.510
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.116
local terms energy: -64.311172
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -182.359894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.359894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.359894 (E_RNA)
where:
Base-Base interactions energy: -119.816
where: short stacking energy: -58.591
Base-Backbone interact. energy: -0.003
local terms energy: -62.541135
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -12.444
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: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -179.892562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.892562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.892562 (E_RNA)
where:
Base-Base interactions energy: -112.637
where: short stacking energy: -49.299
Base-Backbone interact. energy: -0.066
local terms energy: -67.189309
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -10.315
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: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -96.276833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.276833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.276833 (E_RNA)
where:
Base-Base interactions energy: -37.932
where: short stacking energy: -24.398
Base-Backbone interact. energy: -0.142
local terms energy: -58.202861
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -3.480
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: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -86.258585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.258585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.258585 (E_RNA)
where:
Base-Base interactions energy: -36.621
where: short stacking energy: -13.765
Base-Backbone interact. energy: -0.402
local terms energy: -49.235516
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -82.345692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.345692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.345692 (E_RNA)
where:
Base-Base interactions energy: -32.763
where: short stacking energy: -32.763
Base-Backbone interact. energy: -0.105
local terms energy: -49.477937
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -70.373554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.373554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.373554 (E_RNA)
where:
Base-Base interactions energy: -20.962
where: short stacking energy: -20.962
Base-Backbone interact. energy: -0.208
local terms energy: -49.203955
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -223.140174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.140174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.140174 (E_RNA)
where:
Base-Base interactions energy: -150.218
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.855
local terms energy: -72.066912
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.132
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: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -218.176659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.176659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.176659 (E_RNA)
where:
Base-Base interactions energy: -145.954
where: short stacking energy: -64.818
Base-Backbone interact. energy: -0.241
local terms energy: -71.981125
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.360
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: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -201.576067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.576067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.576067 (E_RNA)
where:
Base-Base interactions energy: -124.125
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.012
local terms energy: -77.439321
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -19.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -190.456214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.456214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.456214 (E_RNA)
where:
Base-Base interactions energy: -118.425
where: short stacking energy: -56.499
Base-Backbone interact. energy: -0.013
local terms energy: -72.018450
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -183.853841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.853841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.853841 (E_RNA)
where:
Base-Base interactions energy: -122.902
where: short stacking energy: -45.604
Base-Backbone interact. energy: -0.636
local terms energy: -60.315054
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -8.209
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: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -167.949728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.949728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.949728 (E_RNA)
where:
Base-Base interactions energy: -102.317
where: short stacking energy: -41.834
Base-Backbone interact. energy: -0.149
local terms energy: -65.484502
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -95.783465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.783465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.783465 (E_RNA)
where:
Base-Base interactions energy: -36.292
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.266
local terms energy: -59.225618
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -8.346
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: 125
Temperature: 1.250000
Total energy: -99.064378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.064378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.064378 (E_RNA)
where:
Base-Base interactions energy: -52.054
where: short stacking energy: -38.498
Base-Backbone interact. energy: -0.220
local terms energy: -46.790381
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: 4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -88.762613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762613 (E_RNA)
where:
Base-Base interactions energy: -52.509
where: short stacking energy: -26.155
Base-Backbone interact. energy: -1.636
local terms energy: -34.617278
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -5.551
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: 0.327
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: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -73.278447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.278447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.278447 (E_RNA)
where:
Base-Base interactions energy: -27.556
where: short stacking energy: -26.737
Base-Backbone interact. energy: -0.123
local terms energy: -45.599106
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -224.708456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.708456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.708456 (E_RNA)
where:
Base-Base interactions energy: -151.144
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.727
local terms energy: -72.837550
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -226.630873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.630873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.630873 (E_RNA)
where:
Base-Base interactions energy: -157.266
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.939
local terms energy: -68.425565
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -19.199
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: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -188.263019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.263019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.263019 (E_RNA)
where:
Base-Base interactions energy: -119.156
where: short stacking energy: -67.324
Base-Backbone interact. energy: -0.003
local terms energy: -69.103914
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -196.453277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.453277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.453277 (E_RNA)
where:
Base-Base interactions energy: -123.682
where: short stacking energy: -55.168
Base-Backbone interact. energy: -0.582
local terms energy: -72.189680
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -9.609
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: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -187.506857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.506857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.506857 (E_RNA)
where:
Base-Base interactions energy: -120.551
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.060
local terms energy: -66.895145
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -173.680154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.680154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.680154 (E_RNA)
where:
Base-Base interactions energy: -115.958
where: short stacking energy: -46.255
Base-Backbone interact. energy: -0.313
local terms energy: -57.408750
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -148.894292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.894292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.894292 (E_RNA)
where:
Base-Base interactions energy: -82.880
where: short stacking energy: -34.482
Base-Backbone interact. energy: 0.183
local terms energy: -66.196777
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -7.318
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: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -86.329378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.329378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.329378 (E_RNA)
where:
Base-Base interactions energy: -37.423
where: short stacking energy: -23.076
Base-Backbone interact. energy: -0.487
local terms energy: -48.419364
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -86.538182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.538182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.538182 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -31.820
Base-Backbone interact. energy: -0.300
local terms energy: -53.993051
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -4.104
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: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -80.597296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.597296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.597296 (E_RNA)
where:
Base-Base interactions energy: -25.262
where: short stacking energy: -23.445
Base-Backbone interact. energy: -0.392
local terms energy: -54.942603
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -221.368654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.368654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.368654 (E_RNA)
where:
Base-Base interactions energy: -150.824
where: short stacking energy: -58.781
Base-Backbone interact. energy: -0.448
local terms energy: -70.097214
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -222.561180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.561180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.561180 (E_RNA)
where:
Base-Base interactions energy: -147.377
where: short stacking energy: -66.103
Base-Backbone interact. energy: -0.249
local terms energy: -74.934301
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -193.704102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.704102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.704102 (E_RNA)
where:
Base-Base interactions energy: -126.823
where: short stacking energy: -50.503
Base-Backbone interact. energy: -0.147
local terms energy: -66.734155
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -14.096
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: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -195.665784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.665784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.665784 (E_RNA)
where:
Base-Base interactions energy: -128.290
where: short stacking energy: -54.047
Base-Backbone interact. energy: -0.530
local terms energy: -66.845494
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -13.315
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: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -198.777965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.777965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.777965 (E_RNA)
where:
Base-Base interactions energy: -127.158
where: short stacking energy: -51.795
Base-Backbone interact. energy: -0.058
local terms energy: -71.561943
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -173.308627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.308627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.308627 (E_RNA)
where:
Base-Base interactions energy: -115.636
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.097
local terms energy: -57.575019
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -164.195920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.195920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.195920 (E_RNA)
where:
Base-Base interactions energy: -98.551
where: short stacking energy: -51.735
Base-Backbone interact. energy: -0.013
local terms energy: -65.631938
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -85.452379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.452379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.452379 (E_RNA)
where:
Base-Base interactions energy: -36.631
where: short stacking energy: -30.113
Base-Backbone interact. energy: -0.387
local terms energy: -48.434917
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -90.904004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.904004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.904004 (E_RNA)
where:
Base-Base interactions energy: -43.461
where: short stacking energy: -31.571
Base-Backbone interact. energy: -0.359
local terms energy: -47.083803
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -72.500898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.500898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.500898 (E_RNA)
where:
Base-Base interactions energy: -21.635
where: short stacking energy: -22.664
Base-Backbone interact. energy: -0.120
local terms energy: -50.746279
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -3.136
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: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -228.081205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.081205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.081205 (E_RNA)
where:
Base-Base interactions energy: -155.191
where: short stacking energy: -65.461
Base-Backbone interact. energy: -0.414
local terms energy: -72.476696
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -12.218
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: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -217.945368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.945368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.945368 (E_RNA)
where:
Base-Base interactions energy: -147.929
where: short stacking energy: -65.634
Base-Backbone interact. energy: -0.389
local terms energy: -69.627245
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -194.877857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.877857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.877857 (E_RNA)
where:
Base-Base interactions energy: -129.001
where: short stacking energy: -56.573
Base-Backbone interact. energy: -0.053
local terms energy: -65.823140
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -7.852
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: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -208.676244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.676244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.676244 (E_RNA)
where:
Base-Base interactions energy: -141.385
where: short stacking energy: -54.951
Base-Backbone interact. energy: -0.211
local terms energy: -67.080253
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -194.603394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.603394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.603394 (E_RNA)
where:
Base-Base interactions energy: -125.528
where: short stacking energy: -62.435
Base-Backbone interact. energy: -1.098
local terms energy: -67.976518
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -15.730
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: 128
Temperature: 1.150000
Total energy: -187.854312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.854312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.854312 (E_RNA)
where:
Base-Base interactions energy: -117.830
where: short stacking energy: -45.228
Base-Backbone interact. energy: -0.630
local terms energy: -69.395035
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -163.118042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.118042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.118042 (E_RNA)
where:
Base-Base interactions energy: -106.265
where: short stacking energy: -33.511
Base-Backbone interact. energy: -0.559
local terms energy: -56.294728
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -86.893229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.893229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.893229 (E_RNA)
where:
Base-Base interactions energy: -26.370
where: short stacking energy: -26.088
Base-Backbone interact. energy: 0.610
local terms energy: -61.132756
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -77.489651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.489651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.489651 (E_RNA)
where:
Base-Base interactions energy: -22.726
where: short stacking energy: -21.799
Base-Backbone interact. energy: -0.125
local terms energy: -54.638824
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -85.368782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.368782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.368782 (E_RNA)
where:
Base-Base interactions energy: -35.118
where: short stacking energy: -24.565
Base-Backbone interact. energy: -0.104
local terms energy: -50.146613
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -237.141462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.141462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.141462 (E_RNA)
where:
Base-Base interactions energy: -169.391
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.091
local terms energy: -67.659229
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -211.117273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.117273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.117273 (E_RNA)
where:
Base-Base interactions energy: -138.064
where: short stacking energy: -56.420
Base-Backbone interact. energy: -0.806
local terms energy: -72.247863
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -201.953886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.953886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.953886 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -58.501
Base-Backbone interact. energy: -0.162
local terms energy: -69.405501
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -193.723004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.723004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.723004 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -49.516
Base-Backbone interact. energy: -0.161
local terms energy: -64.606040
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -10.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -182.801680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.801680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.801680 (E_RNA)
where:
Base-Base interactions energy: -112.495
where: short stacking energy: -54.523
Base-Backbone interact. energy: -0.254
local terms energy: -70.052115
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -177.317351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.317351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.317351 (E_RNA)
where:
Base-Base interactions energy: -113.101
where: short stacking energy: -49.007
Base-Backbone interact. energy: -0.126
local terms energy: -64.090101
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -6.717
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: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -169.893135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.893135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.893135 (E_RNA)
where:
Base-Base interactions energy: -113.652
where: short stacking energy: -49.668
Base-Backbone interact. energy: -0.037
local terms energy: -56.204252
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -92.967873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.967873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.967873 (E_RNA)
where:
Base-Base interactions energy: -37.562
where: short stacking energy: -35.523
Base-Backbone interact. energy: 1.180
local terms energy: -56.585540
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -74.932735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.932735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.932735 (E_RNA)
where:
Base-Base interactions energy: -27.813
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.080
local terms energy: -47.039720
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: 0.235
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: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -80.437998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.437998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.437998 (E_RNA)
where:
Base-Base interactions energy: -28.865
where: short stacking energy: -28.865
Base-Backbone interact. energy: -0.131
local terms energy: -51.441398
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: 0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -223.684462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.684462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.684462 (E_RNA)
where:
Base-Base interactions energy: -143.952
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.332
local terms energy: -79.400612
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -16.522
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: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -229.351355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.351355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.351355 (E_RNA)
where:
Base-Base interactions energy: -161.649
where: short stacking energy: -63.894
Base-Backbone interact. energy: -0.107
local terms energy: -67.595592
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -202.970257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.970257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.970257 (E_RNA)
where:
Base-Base interactions energy: -128.247
where: short stacking energy: -58.976
Base-Backbone interact. energy: -0.061
local terms energy: -74.662901
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -177.488550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.488550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.488550 (E_RNA)
where:
Base-Base interactions energy: -115.505
where: short stacking energy: -51.862
Base-Backbone interact. energy: -0.182
local terms energy: -61.801555
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -179.272470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.272470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.272470 (E_RNA)
where:
Base-Base interactions energy: -119.606
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.002
local terms energy: -59.664362
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -185.935740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.935740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.935740 (E_RNA)
where:
Base-Base interactions energy: -126.605
where: short stacking energy: -45.391
Base-Backbone interact. energy: -1.153
local terms energy: -58.177935
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -5.794
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: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -176.817252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.817252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.817252 (E_RNA)
where:
Base-Base interactions energy: -121.823
where: short stacking energy: -51.133
Base-Backbone interact. energy: -0.421
local terms energy: -54.573052
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -93.259419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.259419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.259419 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -36.872
Base-Backbone interact. energy: -0.025
local terms energy: -54.307742
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -8.125
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: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -79.905808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.905808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.905808 (E_RNA)
where:
Base-Base interactions energy: -28.128
where: short stacking energy: -28.128
Base-Backbone interact. energy: -0.091
local terms energy: -51.687047
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -80.842868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.842868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.842868 (E_RNA)
where:
Base-Base interactions energy: -31.397
where: short stacking energy: -23.494
Base-Backbone interact. energy: -0.249
local terms energy: -49.197277
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -223.124113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.124113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.124113 (E_RNA)
where:
Base-Base interactions energy: -142.134
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.417
local terms energy: -80.573319
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -223.329925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.329925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.329925 (E_RNA)
where:
Base-Base interactions energy: -156.838
where: short stacking energy: -65.136
Base-Backbone interact. energy: -0.402
local terms energy: -66.089496
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -9.720
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: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -211.534953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.534953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.534953 (E_RNA)
where:
Base-Base interactions energy: -143.796
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.696
local terms energy: -67.042590
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -186.443127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.443127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.443127 (E_RNA)
where:
Base-Base interactions energy: -121.954
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.049
local terms energy: -64.439936
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -10.260
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: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -189.160508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.160508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.160508 (E_RNA)
where:
Base-Base interactions energy: -123.340
where: short stacking energy: -55.103
Base-Backbone interact. energy: -0.048
local terms energy: -65.772651
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -190.590718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.590718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.590718 (E_RNA)
where:
Base-Base interactions energy: -134.859
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.041
local terms energy: -55.691257
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -11.811
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: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -176.084422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.084422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.084422 (E_RNA)
where:
Base-Base interactions energy: -112.492
where: short stacking energy: -51.153
Base-Backbone interact. energy: -0.013
local terms energy: -63.579617
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -86.134194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.134194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.134194 (E_RNA)
where:
Base-Base interactions energy: -26.771
where: short stacking energy: -26.771
Base-Backbone interact. energy: -0.346
local terms energy: -59.017408
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -73.275421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.275421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.275421 (E_RNA)
where:
Base-Base interactions energy: -27.675
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.096
local terms energy: -45.504889
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -2.519
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: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -77.012528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.012528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.012528 (E_RNA)
where:
Base-Base interactions energy: -28.070
where: short stacking energy: -22.996
Base-Backbone interact. energy: -0.111
local terms energy: -48.831839
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -6.992
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -1.828
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: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -227.745924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.745924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.745924 (E_RNA)
where:
Base-Base interactions energy: -155.721
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.315
local terms energy: -71.710016
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -7.140
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: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -220.305474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.305474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.305474 (E_RNA)
where:
Base-Base interactions energy: -151.371
where: short stacking energy: -68.516
Base-Backbone interact. energy: -0.547
local terms energy: -68.387703
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -214.639259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.639259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.639259 (E_RNA)
where:
Base-Base interactions energy: -145.280
where: short stacking energy: -51.581
Base-Backbone interact. energy: -0.226
local terms energy: -69.133730
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -16.643
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: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -183.218300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.218300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.218300 (E_RNA)
where:
Base-Base interactions energy: -116.210
where: short stacking energy: -52.967
Base-Backbone interact. energy: -0.009
local terms energy: -66.999649
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -186.776732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.776732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.776732 (E_RNA)
where:
Base-Base interactions energy: -127.705
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.133
local terms energy: -58.939053
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -183.264433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.264433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.264433 (E_RNA)
where:
Base-Base interactions energy: -114.500
where: short stacking energy: -58.197
Base-Backbone interact. energy: 0.210
local terms energy: -68.974304
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -187.356324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.356324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.356324 (E_RNA)
where:
Base-Base interactions energy: -120.511
where: short stacking energy: -52.589
Base-Backbone interact. energy: -0.391
local terms energy: -66.454463
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -12.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -87.172083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.172083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.172083 (E_RNA)
where:
Base-Base interactions energy: -28.367
where: short stacking energy: -23.246
Base-Backbone interact. energy: 0.499
local terms energy: -59.304523
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -80.277198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.277198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.277198 (E_RNA)
where:
Base-Base interactions energy: -26.982
where: short stacking energy: -25.214
Base-Backbone interact. energy: -0.105
local terms energy: -53.189632
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -80.454612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.454612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.454612 (E_RNA)
where:
Base-Base interactions energy: -34.405
where: short stacking energy: -31.979
Base-Backbone interact. energy: -0.182
local terms energy: -45.867929
where:
bonds (distance) C4'-P energy: -5.309
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -228.579223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.579223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.579223 (E_RNA)
where:
Base-Base interactions energy: -160.680
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.712
local terms energy: -67.186961
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -18.836
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: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -207.464985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.464985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.464985 (E_RNA)
where:
Base-Base interactions energy: -131.860
where: short stacking energy: -58.571
Base-Backbone interact. energy: 1.625
local terms energy: -77.229505
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -183.961066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.961066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.961066 (E_RNA)
where:
Base-Base interactions energy: -125.627
where: short stacking energy: -58.744
Base-Backbone interact. energy: -0.031
local terms energy: -58.304002
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -194.492951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.492951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.492951 (E_RNA)
where:
Base-Base interactions energy: -138.211
where: short stacking energy: -52.491
Base-Backbone interact. energy: 1.984
local terms energy: -58.266096
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -9.595
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: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -196.547883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.547883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.547883 (E_RNA)
where:
Base-Base interactions energy: -131.205
where: short stacking energy: -64.392
Base-Backbone interact. energy: -0.108
local terms energy: -65.234330
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -10.001
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -179.708700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.708700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.708700 (E_RNA)
where:
Base-Base interactions energy: -121.928
where: short stacking energy: -48.783
Base-Backbone interact. energy: -0.074
local terms energy: -57.707302
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -173.317790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.317790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.317790 (E_RNA)
where:
Base-Base interactions energy: -110.305
where: short stacking energy: -54.600
Base-Backbone interact. energy: -0.081
local terms energy: -62.931973
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.672
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: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -85.169756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.169756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.169756 (E_RNA)
where:
Base-Base interactions energy: -27.993
where: short stacking energy: -27.993
Base-Backbone interact. energy: -0.073
local terms energy: -57.103697
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.065
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: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -94.709007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.709007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.709007 (E_RNA)
where:
Base-Base interactions energy: -41.498
where: short stacking energy: -30.396
Base-Backbone interact. energy: -0.422
local terms energy: -52.789065
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.566
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: 10, replica: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -79.574928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.574928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.574928 (E_RNA)
where:
Base-Base interactions energy: -32.538
where: short stacking energy: -32.371
Base-Backbone interact. energy: -0.146
local terms energy: -46.891276
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -5.486
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: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -232.067063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.067063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.067063 (E_RNA)
where:
Base-Base interactions energy: -164.256
where: short stacking energy: -66.651
Base-Backbone interact. energy: -0.521
local terms energy: -67.289776
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -16.329
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: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -217.551827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.551827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.551827 (E_RNA)
where:
Base-Base interactions energy: -142.051
where: short stacking energy: -70.121
Base-Backbone interact. energy: -1.225
local terms energy: -74.276408
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -16.380
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: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -205.223535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.223535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.223535 (E_RNA)
where:
Base-Base interactions energy: -130.139
where: short stacking energy: -61.931
Base-Backbone interact. energy: -0.010
local terms energy: -75.074520
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -191.960567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.960567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.960567 (E_RNA)
where:
Base-Base interactions energy: -122.355
where: short stacking energy: -60.721
Base-Backbone interact. energy: 0.622
local terms energy: -70.227324
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -201.835706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.835706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.835706 (E_RNA)
where:
Base-Base interactions energy: -129.361
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.002
local terms energy: -72.472336
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -9.420
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: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -170.499507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.499507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.499507 (E_RNA)
where:
Base-Base interactions energy: -112.319
where: short stacking energy: -53.725
Base-Backbone interact. energy: -0.186
local terms energy: -57.994488
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -171.243298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.243298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.243298 (E_RNA)
where:
Base-Base interactions energy: -112.907
where: short stacking energy: -55.430
Base-Backbone interact. energy: -0.119
local terms energy: -58.217790
where:
bonds (distance) C4'-P energy: -7.528
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -14.702
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: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -81.333488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.333488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.333488 (E_RNA)
where:
Base-Base interactions energy: -34.439
where: short stacking energy: -34.439
Base-Backbone interact. energy: -0.145
local terms energy: -46.749261
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -87.903565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.903565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.903565 (E_RNA)
where:
Base-Base interactions energy: -35.228
where: short stacking energy: -35.228
Base-Backbone interact. energy: -0.142
local terms energy: -52.533193
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -74.320247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.320247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.320247 (E_RNA)
where:
Base-Base interactions energy: -29.720
where: short stacking energy: -26.186
Base-Backbone interact. energy: -0.091
local terms energy: -44.508994
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -227.658203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.658203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.658203 (E_RNA)
where:
Base-Base interactions energy: -163.294
where: short stacking energy: -70.069
Base-Backbone interact. energy: -0.051
local terms energy: -64.312982
where:
bonds (distance) C4'-P energy: -7.748
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -7.690
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: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -206.689450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.689450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.689450 (E_RNA)
where:
Base-Base interactions energy: -136.293
where: short stacking energy: -64.031
Base-Backbone interact. energy: 0.197
local terms energy: -70.593125
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -13.802
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: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -213.840504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.840504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.840504 (E_RNA)
where:
Base-Base interactions energy: -138.808
where: short stacking energy: -64.106
Base-Backbone interact. energy: 4.532
local terms energy: -79.564064
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -13.436
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: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -181.236710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.236710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.236710 (E_RNA)
where:
Base-Base interactions energy: -117.413
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.084
local terms energy: -63.739258
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -186.405681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.405681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.405681 (E_RNA)
where:
Base-Base interactions energy: -119.560
where: short stacking energy: -43.903
Base-Backbone interact. energy: -0.933
local terms energy: -65.912328
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -160.589133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.589133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.589133 (E_RNA)
where:
Base-Base interactions energy: -97.250
where: short stacking energy: -44.409
Base-Backbone interact. energy: -0.040
local terms energy: -63.298891
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -11.191
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: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -178.287018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.287018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.287018 (E_RNA)
where:
Base-Base interactions energy: -118.802
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.101
local terms energy: -59.384079
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -86.736825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.736825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.736825 (E_RNA)
where:
Base-Base interactions energy: -23.987
where: short stacking energy: -21.609
Base-Backbone interact. energy: -0.085
local terms energy: -62.664692
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -6.302
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: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -85.067981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.067981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.067981 (E_RNA)
where:
Base-Base interactions energy: -46.716
where: short stacking energy: -21.858
Base-Backbone interact. energy: -1.375
local terms energy: -36.977077
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -5.726
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -87.900675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.900675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.900675 (E_RNA)
where:
Base-Base interactions energy: -47.209
where: short stacking energy: -28.334
Base-Backbone interact. energy: -0.174
local terms energy: -40.518255
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -1.089
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: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -225.351947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.351947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.351947 (E_RNA)
where:
Base-Base interactions energy: -156.458
where: short stacking energy: -66.373
Base-Backbone interact. energy: -0.028
local terms energy: -68.865377
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -218.734252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.734252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.734252 (E_RNA)
where:
Base-Base interactions energy: -149.688
where: short stacking energy: -69.479
Base-Backbone interact. energy: -0.534
local terms energy: -68.512651
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -192.785189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.785189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.785189 (E_RNA)
where:
Base-Base interactions energy: -125.094
where: short stacking energy: -55.426
Base-Backbone interact. energy: -1.117
local terms energy: -66.574196
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -213.328512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.328512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.328512 (E_RNA)
where:
Base-Base interactions energy: -137.440
where: short stacking energy: -61.249
Base-Backbone interact. energy: 0.865
local terms energy: -76.753372
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -13.552
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: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -193.519852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.519852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.519852 (E_RNA)
where:
Base-Base interactions energy: -134.815
where: short stacking energy: -49.218
Base-Backbone interact. energy: -0.261
local terms energy: -58.444177
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -10.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -121.664699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.664699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.664699 (E_RNA)
where:
Base-Base interactions energy: -65.790
where: short stacking energy: -49.321
Base-Backbone interact. energy: -1.086
local terms energy: -54.788210
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -8.894
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -10.964
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: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -179.214956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.214956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.214956 (E_RNA)
where:
Base-Base interactions energy: -117.729
where: short stacking energy: -59.689
Base-Backbone interact. energy: -0.044
local terms energy: -61.442668
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -89.752552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.752552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.752552 (E_RNA)
where:
Base-Base interactions energy: -30.078
where: short stacking energy: -27.896
Base-Backbone interact. energy: -0.276
local terms energy: -59.399087
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -111.329962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.329962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.329962 (E_RNA)
where:
Base-Base interactions energy: -67.456
where: short stacking energy: -31.609
Base-Backbone interact. energy: -0.282
local terms energy: -43.592482
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -7.258
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: -2.062
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: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -94.119732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.119732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.119732 (E_RNA)
where:
Base-Base interactions energy: -40.427
where: short stacking energy: -21.053
Base-Backbone interact. energy: -0.235
local terms energy: -53.457818
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: 1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -217.735770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.735770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.735770 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.383
local terms energy: -70.935927
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -7.941
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: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -219.872039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.872039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.872039 (E_RNA)
where:
Base-Base interactions energy: -139.616
where: short stacking energy: -68.125
Base-Backbone interact. energy: -0.007
local terms energy: -80.248303
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -12.484
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: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -201.636026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.636026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.636026 (E_RNA)
where:
Base-Base interactions energy: -132.346
where: short stacking energy: -53.233
Base-Backbone interact. energy: -0.130
local terms energy: -69.159204
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -14.849
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: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -182.768491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.768491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.768491 (E_RNA)
where:
Base-Base interactions energy: -116.445
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.048
local terms energy: -66.275627
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -14.698
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: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -205.426257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.426257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.426257 (E_RNA)
where:
Base-Base interactions energy: -135.201
where: short stacking energy: -61.468
Base-Backbone interact. energy: -0.392
local terms energy: -69.833126
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -180.673128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.673128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.673128 (E_RNA)
where:
Base-Base interactions energy: -111.654
where: short stacking energy: -53.675
Base-Backbone interact. energy: -0.003
local terms energy: -69.016366
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -154.436939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.436939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.436939 (E_RNA)
where:
Base-Base interactions energy: -88.233
where: short stacking energy: -46.310
Base-Backbone interact. energy: -1.389
local terms energy: -64.814956
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -154.249950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.249950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.249950 (E_RNA)
where:
Base-Base interactions energy: -90.931
where: short stacking energy: -48.831
Base-Backbone interact. energy: 0.901
local terms energy: -64.219282
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -85.299452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.299452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.299452 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -31.592
Base-Backbone interact. energy: -0.089
local terms energy: -48.552290
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -4.126
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: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -77.732137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.732137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.732137 (E_RNA)
where:
Base-Base interactions energy: -31.877
where: short stacking energy: -31.269
Base-Backbone interact. energy: -0.182
local terms energy: -45.672461
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -3.731
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -221.075498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.075498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.075498 (E_RNA)
where:
Base-Base interactions energy: -148.378
where: short stacking energy: -60.739
Base-Backbone interact. energy: -0.005
local terms energy: -72.692304
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -217.606486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.606486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.606486 (E_RNA)
where:
Base-Base interactions energy: -142.421
where: short stacking energy: -59.940
Base-Backbone interact. energy: -0.001
local terms energy: -75.184277
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.506
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: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -189.949532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.949532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.949532 (E_RNA)
where:
Base-Base interactions energy: -127.289
where: short stacking energy: -64.398
Base-Backbone interact. energy: -0.258
local terms energy: -62.402283
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -17.147
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: 138
Temperature: 1.050000
Total energy: -179.287474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.287474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.287474 (E_RNA)
where:
Base-Base interactions energy: -115.799
where: short stacking energy: -55.395
Base-Backbone interact. energy: -0.019
local terms energy: -63.469670
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -7.803
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: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -190.004791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.004791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.004791 (E_RNA)
where:
Base-Base interactions energy: -122.642
where: short stacking energy: -60.533
Base-Backbone interact. energy: -0.042
local terms energy: -67.321277
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -187.376750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.376750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.376750 (E_RNA)
where:
Base-Base interactions energy: -118.857
where: short stacking energy: -57.521
Base-Backbone interact. energy: -2.034
local terms energy: -66.486080
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -148.860262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.860262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.860262 (E_RNA)
where:
Base-Base interactions energy: -90.295
where: short stacking energy: -49.334
Base-Backbone interact. energy: -1.335
local terms energy: -57.229664
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -10.167
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: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -141.605767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.605767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.605767 (E_RNA)
where:
Base-Base interactions energy: -95.960
where: short stacking energy: -45.760
Base-Backbone interact. energy: 0.633
local terms energy: -46.278785
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -8.834
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -83.718192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.718192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.718192 (E_RNA)
where:
Base-Base interactions energy: -33.603
where: short stacking energy: -33.603
Base-Backbone interact. energy: 0.117
local terms energy: -50.232345
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -3.794
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: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -66.499492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.499492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.499492 (E_RNA)
where:
Base-Base interactions energy: -22.798
where: short stacking energy: -19.282
Base-Backbone interact. energy: 0.434
local terms energy: -44.136369
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: 3.585
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: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -219.139675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.139675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.139675 (E_RNA)
where:
Base-Base interactions energy: -148.174
where: short stacking energy: -58.659
Base-Backbone interact. energy: -0.156
local terms energy: -70.809283
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -8.029
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: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -213.935433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.935433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.935433 (E_RNA)
where:
Base-Base interactions energy: -144.177
where: short stacking energy: -60.793
Base-Backbone interact. energy: -1.318
local terms energy: -68.440680
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -196.012054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.012054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.012054 (E_RNA)
where:
Base-Base interactions energy: -130.324
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.008
local terms energy: -65.680626
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -181.244679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.244679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.244679 (E_RNA)
where:
Base-Base interactions energy: -117.035
where: short stacking energy: -57.175
Base-Backbone interact. energy: -0.001
local terms energy: -64.209229
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -185.401432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.401432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.401432 (E_RNA)
where:
Base-Base interactions energy: -122.191
where: short stacking energy: -58.250
Base-Backbone interact. energy: -1.006
local terms energy: -62.203902
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -174.967450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.967450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.967450 (E_RNA)
where:
Base-Base interactions energy: -115.947
where: short stacking energy: -52.925
Base-Backbone interact. energy: -0.107
local terms energy: -58.913551
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -11.379
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: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -131.685055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.685055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.685055 (E_RNA)
where:
Base-Base interactions energy: -73.268
where: short stacking energy: -43.108
Base-Backbone interact. energy: 0.638
local terms energy: -59.055452
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -5.335
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: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -97.068810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.068810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.068810 (E_RNA)
where:
Base-Base interactions energy: -41.083
where: short stacking energy: -36.769
Base-Backbone interact. energy: -0.639
local terms energy: -55.347223
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -116.086248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.086248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.086248 (E_RNA)
where:
Base-Base interactions energy: -60.925
where: short stacking energy: -29.872
Base-Backbone interact. energy: -1.383
local terms energy: -53.778275
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -4.778
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: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -85.472098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.472098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.472098 (E_RNA)
where:
Base-Base interactions energy: -40.973
where: short stacking energy: -11.919
Base-Backbone interact. energy: -1.252
local terms energy: -43.246769
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -3.790
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: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -212.652380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.652380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.652380 (E_RNA)
where:
Base-Base interactions energy: -145.606
where: short stacking energy: -58.849
Base-Backbone interact. energy: -0.020
local terms energy: -67.026386
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -13.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -218.023198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.023198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.023198 (E_RNA)
where:
Base-Base interactions energy: -150.741
where: short stacking energy: -62.364
Base-Backbone interact. energy: -0.000
local terms energy: -67.281557
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -5.034
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: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -194.262057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.262057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.262057 (E_RNA)
where:
Base-Base interactions energy: -127.612
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.268
local terms energy: -66.381733
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -15.710
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -182.374667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.374667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.374667 (E_RNA)
where:
Base-Base interactions energy: -119.335
where: short stacking energy: -56.427
Base-Backbone interact. energy: 0.373
local terms energy: -63.412972
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -9.411
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: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -196.177284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.177284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.177284 (E_RNA)
where:
Base-Base interactions energy: -124.853
where: short stacking energy: -62.073
Base-Backbone interact. energy: -0.201
local terms energy: -71.123918
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -183.019945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.019945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.019945 (E_RNA)
where:
Base-Base interactions energy: -118.131
where: short stacking energy: -61.117
Base-Backbone interact. energy: -0.001
local terms energy: -64.888563
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -12.245
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: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -84.403069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.403069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.403069 (E_RNA)
where:
Base-Base interactions energy: -35.719
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.145
local terms energy: -48.538608
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -143.925155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.925155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.925155 (E_RNA)
where:
Base-Base interactions energy: -83.758
where: short stacking energy: -46.771
Base-Backbone interact. energy: -0.166
local terms energy: -60.000564
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -11.185
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: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -88.008716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.008716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.008716 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -16.227
Base-Backbone interact. energy: -0.237
local terms energy: -50.522977
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: 0.389
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: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -117.053536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.053536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.053536 (E_RNA)
where:
Base-Base interactions energy: -69.869
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.097
local terms energy: -47.088428
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -205.419621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.419621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.419621 (E_RNA)
where:
Base-Base interactions energy: -134.516
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.001
local terms energy: -70.902143
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -11.475
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: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -215.863740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.863740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.863740 (E_RNA)
where:
Base-Base interactions energy: -146.581
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.087
local terms energy: -69.196521
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -195.548527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.548527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.548527 (E_RNA)
where:
Base-Base interactions energy: -132.802
where: short stacking energy: -48.648
Base-Backbone interact. energy: -0.689
local terms energy: -62.057022
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -196.499168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.499168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.499168 (E_RNA)
where:
Base-Base interactions energy: -140.081
where: short stacking energy: -59.242
Base-Backbone interact. energy: -0.495
local terms energy: -55.923109
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -9.825
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -7.833
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: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -174.295256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.295256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.295256 (E_RNA)
where:
Base-Base interactions energy: -112.489
where: short stacking energy: -54.015
Base-Backbone interact. energy: 0.552
local terms energy: -62.358191
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -13.445
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: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -168.743780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.743780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.743780 (E_RNA)
where:
Base-Base interactions energy: -106.490
where: short stacking energy: -56.796
Base-Backbone interact. energy: -0.038
local terms energy: -62.216435
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -88.824261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.824261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.824261 (E_RNA)
where:
Base-Base interactions energy: -30.902
where: short stacking energy: -29.721
Base-Backbone interact. energy: -0.083
local terms energy: -57.839903
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -158.748480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.748480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.748480 (E_RNA)
where:
Base-Base interactions energy: -105.237
where: short stacking energy: -44.433
Base-Backbone interact. energy: -0.246
local terms energy: -53.265406
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -85.823906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.823906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.823906 (E_RNA)
where:
Base-Base interactions energy: -34.547
where: short stacking energy: -34.200
Base-Backbone interact. energy: -0.114
local terms energy: -51.163663
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -119.989724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.989724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.989724 (E_RNA)
where:
Base-Base interactions energy: -70.440
where: short stacking energy: -38.962
Base-Backbone interact. energy: -0.294
local terms energy: -49.255463
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -4.829
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: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -219.833517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.833517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.833517 (E_RNA)
where:
Base-Base interactions energy: -148.899
where: short stacking energy: -60.313
Base-Backbone interact. energy: -0.464
local terms energy: -70.470637
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.353
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: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -206.986056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.986056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.986056 (E_RNA)
where:
Base-Base interactions energy: -143.428
where: short stacking energy: -64.755
Base-Backbone interact. energy: -0.130
local terms energy: -63.428026
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -188.859188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.859188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.859188 (E_RNA)
where:
Base-Base interactions energy: -129.137
where: short stacking energy: -65.802
Base-Backbone interact. energy: -0.004
local terms energy: -59.718359
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -16.013
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: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -183.936894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.936894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.936894 (E_RNA)
where:
Base-Base interactions energy: -126.877
where: short stacking energy: -56.955
Base-Backbone interact. energy: 1.584
local terms energy: -58.643930
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -7.745
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: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -174.042387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.042387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.042387 (E_RNA)
where:
Base-Base interactions energy: -114.201
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.086
local terms energy: -59.755275
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -178.971939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.971939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.971939 (E_RNA)
where:
Base-Base interactions energy: -108.703
where: short stacking energy: -57.626
Base-Backbone interact. energy: -0.111
local terms energy: -70.157876
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -176.065031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.065031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.065031 (E_RNA)
where:
Base-Base interactions energy: -107.606
where: short stacking energy: -46.127
Base-Backbone interact. energy: -0.514
local terms energy: -67.945520
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -7.474
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: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -93.680948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.680948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.680948 (E_RNA)
where:
Base-Base interactions energy: -46.071
where: short stacking energy: -29.294
Base-Backbone interact. energy: 0.775
local terms energy: -48.384934
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -123.219239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.219239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.219239 (E_RNA)
where:
Base-Base interactions energy: -69.425
where: short stacking energy: -33.198
Base-Backbone interact. energy: 0.187
local terms energy: -53.981508
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -74.414739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.414739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.414739 (E_RNA)
where:
Base-Base interactions energy: -16.447
where: short stacking energy: -16.447
Base-Backbone interact. energy: 0.384
local terms energy: -58.351703
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -8.274
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -221.616979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.616979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.616979 (E_RNA)
where:
Base-Base interactions energy: -152.551
where: short stacking energy: -60.634
Base-Backbone interact. energy: -0.020
local terms energy: -69.046017
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -206.215109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.215109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.215109 (E_RNA)
where:
Base-Base interactions energy: -138.615
where: short stacking energy: -72.963
Base-Backbone interact. energy: -0.001
local terms energy: -67.599570
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -10.355
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: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -204.650531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.650531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.650531 (E_RNA)
where:
Base-Base interactions energy: -140.212
where: short stacking energy: -57.398
Base-Backbone interact. energy: -0.090
local terms energy: -64.348607
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -8.047
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -188.411474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.411474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.411474 (E_RNA)
where:
Base-Base interactions energy: -121.409
where: short stacking energy: -49.937
Base-Backbone interact. energy: -0.050
local terms energy: -66.952116
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.539
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: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -183.779273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.779273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.779273 (E_RNA)
where:
Base-Base interactions energy: -118.644
where: short stacking energy: -53.076
Base-Backbone interact. energy: -0.178
local terms energy: -64.957610
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -178.821219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.821219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.821219 (E_RNA)
where:
Base-Base interactions energy: -120.752
where: short stacking energy: -46.605
Base-Backbone interact. energy: -0.063
local terms energy: -58.006100
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -11.040
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: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -181.600273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.600273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.600273 (E_RNA)
where:
Base-Base interactions energy: -118.493
where: short stacking energy: -58.311
Base-Backbone interact. energy: 0.146
local terms energy: -63.253128
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -123.179447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.179447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.179447 (E_RNA)
where:
Base-Base interactions energy: -81.340
where: short stacking energy: -46.137
Base-Backbone interact. energy: -0.152
local terms energy: -41.687027
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -6.415
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -2.348
tors. eta vs tors. theta energy: -7.537
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: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -93.804516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.804516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.804516 (E_RNA)
where:
Base-Base interactions energy: -46.309
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.105
local terms energy: -47.389900
where:
bonds (distance) C4'-P energy: -3.851
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -72.593811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.593811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.593811 (E_RNA)
where:
Base-Base interactions energy: -24.533
where: short stacking energy: -24.127
Base-Backbone interact. energy: -0.514
local terms energy: -47.546970
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -205.992795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.992795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.992795 (E_RNA)
where:
Base-Base interactions energy: -145.468
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.565
local terms energy: -59.959653
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -11.600
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: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -200.984415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.984415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.984415 (E_RNA)
where:
Base-Base interactions energy: -130.757
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.134
local terms energy: -70.093412
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -202.275996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.275996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.275996 (E_RNA)
where:
Base-Base interactions energy: -130.466
where: short stacking energy: -66.057
Base-Backbone interact. energy: -0.002
local terms energy: -71.808084
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -192.419136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.419136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.419136 (E_RNA)
where:
Base-Base interactions energy: -128.742
where: short stacking energy: -60.317
Base-Backbone interact. energy: -0.004
local terms energy: -63.672932
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -184.416741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.416741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.416741 (E_RNA)
where:
Base-Base interactions energy: -118.667
where: short stacking energy: -48.730
Base-Backbone interact. energy: 0.106
local terms energy: -65.856072
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -197.504653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.504653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.504653 (E_RNA)
where:
Base-Base interactions energy: -127.118
where: short stacking energy: -51.845
Base-Backbone interact. energy: -0.277
local terms energy: -70.109351
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -173.837426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.837426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.837426 (E_RNA)
where:
Base-Base interactions energy: -109.752
where: short stacking energy: -50.477
Base-Backbone interact. energy: -0.092
local terms energy: -63.993505
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -9.442
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: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -133.072410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.072410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.072410 (E_RNA)
where:
Base-Base interactions energy: -75.836
where: short stacking energy: -45.047
Base-Backbone interact. energy: -1.386
local terms energy: -55.850279
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -7.027
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: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -71.575126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.575126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.575126 (E_RNA)
where:
Base-Base interactions energy: -20.787
where: short stacking energy: -20.787
Base-Backbone interact. energy: -0.256
local terms energy: -50.532186
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -76.996059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.996059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.996059 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -23.461
Base-Backbone interact. energy: 1.565
local terms energy: -38.454316
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: 2.618
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: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -203.002752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.002752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.002752 (E_RNA)
where:
Base-Base interactions energy: -128.357
where: short stacking energy: -68.458
Base-Backbone interact. energy: -1.291
local terms energy: -73.354468
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -18.194
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: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -211.665478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.665478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.665478 (E_RNA)
where:
Base-Base interactions energy: -144.630
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.131
local terms energy: -66.904348
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -195.977952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.977952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.977952 (E_RNA)
where:
Base-Base interactions energy: -131.025
where: short stacking energy: -54.094
Base-Backbone interact. energy: -0.207
local terms energy: -64.745458
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -191.541883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.541883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.541883 (E_RNA)
where:
Base-Base interactions energy: -128.054
where: short stacking energy: -55.415
Base-Backbone interact. energy: -0.119
local terms energy: -63.369268
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -8.676
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -186.688986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.688986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.688986 (E_RNA)
where:
Base-Base interactions energy: -119.833
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.490
local terms energy: -66.366208
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -183.211746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.211746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.211746 (E_RNA)
where:
Base-Base interactions energy: -120.033
where: short stacking energy: -65.345
Base-Backbone interact. energy: -0.014
local terms energy: -63.164918
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -171.991359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.991359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.991359 (E_RNA)
where:
Base-Base interactions energy: -112.571
where: short stacking energy: -50.682
Base-Backbone interact. energy: 0.386
local terms energy: -59.805842
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -88.290468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.290468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.290468 (E_RNA)
where:
Base-Base interactions energy: -37.492
where: short stacking energy: -37.492
Base-Backbone interact. energy: -0.112
local terms energy: -50.686555
where:
bonds (distance) C4'-P energy: -7.078
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -119.616102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.616102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.616102 (E_RNA)
where:
Base-Base interactions energy: -64.346
where: short stacking energy: -28.956
Base-Backbone interact. energy: 0.612
local terms energy: -55.882502
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -2.443
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: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -73.130798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.130798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.130798 (E_RNA)
where:
Base-Base interactions energy: -21.935
where: short stacking energy: -21.935
Base-Backbone interact. energy: -0.071
local terms energy: -51.124304
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -208.060795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.060795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.060795 (E_RNA)
where:
Base-Base interactions energy: -137.727
where: short stacking energy: -59.868
Base-Backbone interact. energy: -1.156
local terms energy: -69.178334
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -196.954936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.954936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.954936 (E_RNA)
where:
Base-Base interactions energy: -134.140
where: short stacking energy: -64.588
Base-Backbone interact. energy: -0.360
local terms energy: -62.455368
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -203.260185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.260185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.260185 (E_RNA)
where:
Base-Base interactions energy: -132.894
where: short stacking energy: -60.576
Base-Backbone interact. energy: -0.004
local terms energy: -70.361782
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -12.516
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: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -194.141719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.141719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.141719 (E_RNA)
where:
Base-Base interactions energy: -124.654
where: short stacking energy: -59.954
Base-Backbone interact. energy: -0.043
local terms energy: -69.444981
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -188.370660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.370660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.370660 (E_RNA)
where:
Base-Base interactions energy: -120.785
where: short stacking energy: -59.627
Base-Backbone interact. energy: -0.592
local terms energy: -66.993600
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -189.527954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.527954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.527954 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -59.620
Base-Backbone interact. energy: -0.179
local terms energy: -65.846577
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -169.529820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.529820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.529820 (E_RNA)
where:
Base-Base interactions energy: -116.188
where: short stacking energy: -48.094
Base-Backbone interact. energy: -0.109
local terms energy: -53.232605
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -98.823646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.823646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.823646 (E_RNA)
where:
Base-Base interactions energy: -41.759
where: short stacking energy: -41.759
Base-Backbone interact. energy: -0.011
local terms energy: -57.053794
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -2.234
tors. eta vs tors. theta energy: -12.487
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: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -161.230761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.230761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.230761 (E_RNA)
where:
Base-Base interactions energy: -106.398
where: short stacking energy: -52.514
Base-Backbone interact. energy: -0.080
local terms energy: -54.752205
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -76.639067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.639067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.639067 (E_RNA)
where:
Base-Base interactions energy: -32.976
where: short stacking energy: -17.352
Base-Backbone interact. energy: -0.514
local terms energy: -43.149597
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: 2.590
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: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -205.590232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.590232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.590232 (E_RNA)
where:
Base-Base interactions energy: -134.793
where: short stacking energy: -54.050
Base-Backbone interact. energy: -0.145
local terms energy: -70.651559
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -11.021
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: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -204.676706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.676706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.676706 (E_RNA)
where:
Base-Base interactions energy: -133.481
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.457
local terms energy: -70.738761
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -10.568
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: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -201.013063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.013063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.013063 (E_RNA)
where:
Base-Base interactions energy: -130.957
where: short stacking energy: -66.773
Base-Backbone interact. energy: -0.003
local terms energy: -70.052967
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -188.198913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.198913 (E_RNA)
where:
Base-Base interactions energy: -120.414
where: short stacking energy: -59.428
Base-Backbone interact. energy: -0.003
local terms energy: -67.782215
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -186.516870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.516870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.516870 (E_RNA)
where:
Base-Base interactions energy: -123.709
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.156
local terms energy: -62.651754
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -7.624
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: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -187.473724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.473724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.473724 (E_RNA)
where:
Base-Base interactions energy: -123.189
where: short stacking energy: -62.868
Base-Backbone interact. energy: -0.001
local terms energy: -64.283599
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -176.204755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.204755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.204755 (E_RNA)
where:
Base-Base interactions energy: -110.155
where: short stacking energy: -46.985
Base-Backbone interact. energy: -0.558
local terms energy: -65.491619
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -168.090782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.090782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.090782 (E_RNA)
where:
Base-Base interactions energy: -111.047
where: short stacking energy: -53.453
Base-Backbone interact. energy: -0.209
local terms energy: -56.835054
where:
bonds (distance) C4'-P energy: -7.039
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -14.812
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: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -86.066817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.066817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.066817 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -38.985
Base-Backbone interact. energy: -0.439
local terms energy: -46.482467
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -70.549990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.549990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.549990 (E_RNA)
where:
Base-Base interactions energy: -21.436
where: short stacking energy: -17.301
Base-Backbone interact. energy: -0.715
local terms energy: -48.398717
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -211.054788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.054788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.054788 (E_RNA)
where:
Base-Base interactions energy: -132.704
where: short stacking energy: -52.616
Base-Backbone interact. energy: 0.014
local terms energy: -78.364310
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -13.350
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: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -192.806195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.806195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.806195 (E_RNA)
where:
Base-Base interactions energy: -138.191
where: short stacking energy: -52.209
Base-Backbone interact. energy: -0.541
local terms energy: -54.074098
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -197.466582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.466582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.466582 (E_RNA)
where:
Base-Base interactions energy: -126.650
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.008
local terms energy: -70.808151
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -199.595278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.595278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.595278 (E_RNA)
where:
Base-Base interactions energy: -134.328
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.101
local terms energy: -65.166200
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -181.340119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.340119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.340119 (E_RNA)
where:
Base-Base interactions energy: -117.529
where: short stacking energy: -56.318
Base-Backbone interact. energy: -0.068
local terms energy: -63.743616
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -183.514438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.514438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.514438 (E_RNA)
where:
Base-Base interactions energy: -113.331
where: short stacking energy: -57.718
Base-Backbone interact. energy: -0.585
local terms energy: -69.597735
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -9.130
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: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -179.049729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.049729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.049729 (E_RNA)
where:
Base-Base interactions energy: -122.622
where: short stacking energy: -59.389
Base-Backbone interact. energy: 2.023
local terms energy: -58.450408
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -11.285
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: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -167.503087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.503087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.503087 (E_RNA)
where:
Base-Base interactions energy: -110.926
where: short stacking energy: -50.375
Base-Backbone interact. energy: -0.030
local terms energy: -56.547737
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -11.060
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: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -84.097829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.097829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.097829 (E_RNA)
where:
Base-Base interactions energy: -28.453
where: short stacking energy: -28.177
Base-Backbone interact. energy: -0.165
local terms energy: -55.480039
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -8.534
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -77.095841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.095841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.095841 (E_RNA)
where:
Base-Base interactions energy: -28.985
where: short stacking energy: -27.375
Base-Backbone interact. energy: -0.398
local terms energy: -47.712646
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -218.953872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.953872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.953872 (E_RNA)
where:
Base-Base interactions energy: -155.367
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.569
local terms energy: -63.018168
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -8.616
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: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -199.818908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.818908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.818908 (E_RNA)
where:
Base-Base interactions energy: -132.441
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.885
local terms energy: -66.493428
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -202.247251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.247251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.247251 (E_RNA)
where:
Base-Base interactions energy: -136.580
where: short stacking energy: -57.623
Base-Backbone interact. energy: -1.026
local terms energy: -64.641078
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -190.862232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.862232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.862232 (E_RNA)
where:
Base-Base interactions energy: -121.609
where: short stacking energy: -55.335
Base-Backbone interact. energy: -0.014
local terms energy: -69.239698
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -7.762
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: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -187.583362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.583362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.583362 (E_RNA)
where:
Base-Base interactions energy: -120.688
where: short stacking energy: -56.284
Base-Backbone interact. energy: 0.582
local terms energy: -67.477775
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -187.178327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.178327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.178327 (E_RNA)
where:
Base-Base interactions energy: -122.674
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.606
local terms energy: -63.898091
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -180.425880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.425880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.425880 (E_RNA)
where:
Base-Base interactions energy: -117.248
where: short stacking energy: -53.965
Base-Backbone interact. energy: -0.259
local terms energy: -62.918855
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -9.380
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: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -161.224259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.224259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.224259 (E_RNA)
where:
Base-Base interactions energy: -107.023
where: short stacking energy: -40.049
Base-Backbone interact. energy: -0.197
local terms energy: -54.004661
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -77.834143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.834143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.834143 (E_RNA)
where:
Base-Base interactions energy: -26.889
where: short stacking energy: -26.700
Base-Backbone interact. energy: -0.566
local terms energy: -50.380035
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -83.252273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.252273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.252273 (E_RNA)
where:
Base-Base interactions energy: -26.910
where: short stacking energy: -15.583
Base-Backbone interact. energy: -0.206
local terms energy: -56.136172
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -223.103109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.103109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.103109 (E_RNA)
where:
Base-Base interactions energy: -152.281
where: short stacking energy: -64.006
Base-Backbone interact. energy: 0.637
local terms energy: -71.458619
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -199.491853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.491853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.491853 (E_RNA)
where:
Base-Base interactions energy: -128.572
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.261
local terms energy: -70.658906
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -7.972
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: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -211.699088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.699088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.699088 (E_RNA)
where:
Base-Base interactions energy: -147.470
where: short stacking energy: -58.358
Base-Backbone interact. energy: -0.156
local terms energy: -64.072782
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -201.728140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.728140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.728140 (E_RNA)
where:
Base-Base interactions energy: -140.685
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.835
local terms energy: -60.208482
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -199.163262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.163262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.163262 (E_RNA)
where:
Base-Base interactions energy: -129.515
where: short stacking energy: -67.065
Base-Backbone interact. energy: -0.594
local terms energy: -69.054002
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -10.830
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: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -181.799100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.799100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.799100 (E_RNA)
where:
Base-Base interactions energy: -118.481
where: short stacking energy: -60.388
Base-Backbone interact. energy: -0.012
local terms energy: -63.305880
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -177.339019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.339019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.339019 (E_RNA)
where:
Base-Base interactions energy: -113.579
where: short stacking energy: -50.003
Base-Backbone interact. energy: -0.029
local terms energy: -63.730998
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -9.975
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: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -183.183320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.183320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.183320 (E_RNA)
where:
Base-Base interactions energy: -113.807
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.000
local terms energy: -69.375508
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -15.967
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: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -88.464466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.464466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.464466 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -30.617
Base-Backbone interact. energy: -0.479
local terms energy: -45.453386
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -4.937
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: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -75.054786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.054786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.054786 (E_RNA)
where:
Base-Base interactions energy: -22.688
where: short stacking energy: -18.123
Base-Backbone interact. energy: -0.482
local terms energy: -51.884587
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -223.548385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.548385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.548385 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -67.772
Base-Backbone interact. energy: -0.366
local terms energy: -70.061661
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -213.233929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.233929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.233929 (E_RNA)
where:
Base-Base interactions energy: -143.070
where: short stacking energy: -67.023
Base-Backbone interact. energy: 0.448
local terms energy: -70.611671
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -189.452221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.452221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.452221 (E_RNA)
where:
Base-Base interactions energy: -124.603
where: short stacking energy: -51.676
Base-Backbone interact. energy: -0.088
local terms energy: -64.761597
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -189.877825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.877825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.877825 (E_RNA)
where:
Base-Base interactions energy: -120.387
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.096
local terms energy: -69.394809
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -189.479520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.479520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.479520 (E_RNA)
where:
Base-Base interactions energy: -127.387
where: short stacking energy: -68.000
Base-Backbone interact. energy: -0.477
local terms energy: -61.615224
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -7.289
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: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -171.815691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.815691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.815691 (E_RNA)
where:
Base-Base interactions energy: -109.737
where: short stacking energy: -56.154
Base-Backbone interact. energy: -0.122
local terms energy: -61.956708
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -171.287742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.287742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.287742 (E_RNA)
where:
Base-Base interactions energy: -110.273
where: short stacking energy: -56.777
Base-Backbone interact. energy: 0.199
local terms energy: -61.214360
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -9.642
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: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -84.951765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.951765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.951765 (E_RNA)
where:
Base-Base interactions energy: -33.571
where: short stacking energy: -29.365
Base-Backbone interact. energy: 0.868
local terms energy: -52.249013
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -4.011
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: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -132.179800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.179800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.179800 (E_RNA)
where:
Base-Base interactions energy: -82.527
where: short stacking energy: -31.078
Base-Backbone interact. energy: -0.233
local terms energy: -49.419099
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -5.823
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: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -83.214259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.214259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.214259 (E_RNA)
where:
Base-Base interactions energy: -36.335
where: short stacking energy: -36.335
Base-Backbone interact. energy: -0.217
local terms energy: -46.661722
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -225.856615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.856615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.856615 (E_RNA)
where:
Base-Base interactions energy: -144.380
where: short stacking energy: -65.703
Base-Backbone interact. energy: -0.752
local terms energy: -80.724420
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -210.333048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.333048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.333048 (E_RNA)
where:
Base-Base interactions energy: -143.273
where: short stacking energy: -57.171
Base-Backbone interact. energy: -0.371
local terms energy: -66.688954
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -16.734
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: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -197.060157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.060157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.060157 (E_RNA)
where:
Base-Base interactions energy: -130.190
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.021
local terms energy: -66.848519
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -182.693142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.693142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.693142 (E_RNA)
where:
Base-Base interactions energy: -128.104
where: short stacking energy: -58.789
Base-Backbone interact. energy: -0.142
local terms energy: -54.446827
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -182.211397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.211397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.211397 (E_RNA)
where:
Base-Base interactions energy: -121.189
where: short stacking energy: -60.704
Base-Backbone interact. energy: -0.072
local terms energy: -60.950295
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -188.677084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.677084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.677084 (E_RNA)
where:
Base-Base interactions energy: -124.195
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.191
local terms energy: -64.290910
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -171.027461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.027461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.027461 (E_RNA)
where:
Base-Base interactions energy: -106.896
where: short stacking energy: -42.511
Base-Backbone interact. energy: -0.008
local terms energy: -64.123632
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -86.988844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.988844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.988844 (E_RNA)
where:
Base-Base interactions energy: -36.674
where: short stacking energy: -34.901
Base-Backbone interact. energy: 0.711
local terms energy: -51.025361
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -6.770
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -2.503
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: 152
Temperature: 1.300000
Total energy: -92.191712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.191712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.191712 (E_RNA)
where:
Base-Base interactions energy: -35.890
where: short stacking energy: -27.038
Base-Backbone interact. energy: -0.026
local terms energy: -56.276523
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -78.401330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.401330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.401330 (E_RNA)
where:
Base-Base interactions energy: -32.150
where: short stacking energy: -23.858
Base-Backbone interact. energy: 0.055
local terms energy: -46.305747
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -3.293
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -212.884341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.884341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.884341 (E_RNA)
where:
Base-Base interactions energy: -138.091
where: short stacking energy: -60.694
Base-Backbone interact. energy: -1.767
local terms energy: -73.025681
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -14.600
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: 153
Temperature: 0.950000
Total energy: -210.876122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.876122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.876122 (E_RNA)
where:
Base-Base interactions energy: -139.998
where: short stacking energy: -57.979
Base-Backbone interact. energy: -1.100
local terms energy: -69.778673
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -191.109557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.109557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.109557 (E_RNA)
where:
Base-Base interactions energy: -124.966
where: short stacking energy: -59.315
Base-Backbone interact. energy: -0.008
local terms energy: -66.135477
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -197.668739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.668739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.668739 (E_RNA)
where:
Base-Base interactions energy: -126.528
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.167
local terms energy: -70.973692
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -186.260413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.260413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.260413 (E_RNA)
where:
Base-Base interactions energy: -113.334
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.128
local terms energy: -72.798685
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -17.182
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: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -180.325487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.325487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.325487 (E_RNA)
where:
Base-Base interactions energy: -119.571
where: short stacking energy: -45.806
Base-Backbone interact. energy: 0.762
local terms energy: -61.516944
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -178.812219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.812219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.812219 (E_RNA)
where:
Base-Base interactions energy: -115.111
where: short stacking energy: -56.987
Base-Backbone interact. energy: -0.046
local terms energy: -63.654668
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -14.699
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: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -87.942466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.942466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.942466 (E_RNA)
where:
Base-Base interactions energy: -42.268
where: short stacking energy: -21.944
Base-Backbone interact. energy: -0.365
local terms energy: -45.309122
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: 0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -84.976876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.976876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.976876 (E_RNA)
where:
Base-Base interactions energy: -32.258
where: short stacking energy: -25.153
Base-Backbone interact. energy: -0.158
local terms energy: -52.560896
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -9.338
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: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -81.997267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.997267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.997267 (E_RNA)
where:
Base-Base interactions energy: -31.553
where: short stacking energy: -26.124
Base-Backbone interact. energy: -0.107
local terms energy: -50.336547
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -0.163
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -210.829054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.829054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.829054 (E_RNA)
where:
Base-Base interactions energy: -145.849
where: short stacking energy: -59.172
Base-Backbone interact. energy: -0.085
local terms energy: -64.895713
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -206.391547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.391547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.391547 (E_RNA)
where:
Base-Base interactions energy: -134.115
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.627
local terms energy: -71.649250
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -10.527
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: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -195.083398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.083398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.083398 (E_RNA)
where:
Base-Base interactions energy: -121.340
where: short stacking energy: -46.055
Base-Backbone interact. energy: -0.885
local terms energy: -72.858420
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -191.237931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.237931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.237931 (E_RNA)
where:
Base-Base interactions energy: -133.409
where: short stacking energy: -64.370
Base-Backbone interact. energy: -0.010
local terms energy: -57.818417
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -11.663
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: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -180.027861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.027861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.027861 (E_RNA)
where:
Base-Base interactions energy: -113.863
where: short stacking energy: -44.539
Base-Backbone interact. energy: -0.086
local terms energy: -66.079212
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -172.571022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.571022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.571022 (E_RNA)
where:
Base-Base interactions energy: -114.325
where: short stacking energy: -57.329
Base-Backbone interact. energy: -0.213
local terms energy: -58.032935
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -1.109
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -181.929445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.929445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.929445 (E_RNA)
where:
Base-Base interactions energy: -124.763
where: short stacking energy: -56.908
Base-Backbone interact. energy: -1.408
local terms energy: -55.757837
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -2.151
tors. eta vs tors. theta energy: -12.149
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: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -88.892741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.892741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.892741 (E_RNA)
where:
Base-Base interactions energy: -30.035
where: short stacking energy: -16.889
Base-Backbone interact. energy: -0.136
local terms energy: -58.721319
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -97.568640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.568640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.568640 (E_RNA)
where:
Base-Base interactions energy: -46.240
where: short stacking energy: -28.551
Base-Backbone interact. energy: -0.329
local terms energy: -50.998908
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -77.857707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.857707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.857707 (E_RNA)
where:
Base-Base interactions energy: -25.846
where: short stacking energy: -25.846
Base-Backbone interact. energy: 0.341
local terms energy: -52.353156
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -205.153281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.153281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.153281 (E_RNA)
where:
Base-Base interactions energy: -138.251
where: short stacking energy: -63.453
Base-Backbone interact. energy: -0.059
local terms energy: -66.843116
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -196.973005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.973005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.973005 (E_RNA)
where:
Base-Base interactions energy: -138.186
where: short stacking energy: -53.358
Base-Backbone interact. energy: 0.149
local terms energy: -58.936798
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -200.865568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.865568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.865568 (E_RNA)
where:
Base-Base interactions energy: -136.015
where: short stacking energy: -61.143
Base-Backbone interact. energy: 0.714
local terms energy: -65.565193
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -199.750158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.750158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.750158 (E_RNA)
where:
Base-Base interactions energy: -136.453
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.011
local terms energy: -63.286655
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -15.433
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: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -177.995882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.995882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.995882 (E_RNA)
where:
Base-Base interactions energy: -111.464
where: short stacking energy: -59.529
Base-Backbone interact. energy: 1.714
local terms energy: -68.246135
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.138
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: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -191.999784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.999784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.999784 (E_RNA)
where:
Base-Base interactions energy: -122.344
where: short stacking energy: -62.410
Base-Backbone interact. energy: -0.005
local terms energy: -69.650498
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -167.677872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.677872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.677872 (E_RNA)
where:
Base-Base interactions energy: -106.384
where: short stacking energy: -44.207
Base-Backbone interact. energy: 0.044
local terms energy: -61.338201
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -87.147073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.147073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.147073 (E_RNA)
where:
Base-Base interactions energy: -33.509
where: short stacking energy: -26.188
Base-Backbone interact. energy: -0.061
local terms energy: -53.577720
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -97.404894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.404894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.404894 (E_RNA)
where:
Base-Base interactions energy: -50.771
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.163
local terms energy: -46.469960
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -5.354
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: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -78.360237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.360237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.360237 (E_RNA)
where:
Base-Base interactions energy: -30.445
where: short stacking energy: -23.444
Base-Backbone interact. energy: -0.588
local terms energy: -47.326687
where:
bonds (distance) C4'-P energy: -0.319
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -212.344783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.344783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.344783 (E_RNA)
where:
Base-Base interactions energy: -142.208
where: short stacking energy: -55.334
Base-Backbone interact. energy: -1.371
local terms energy: -68.765802
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -198.832485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.832485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.832485 (E_RNA)
where:
Base-Base interactions energy: -136.016
where: short stacking energy: -58.961
Base-Backbone interact. energy: -0.959
local terms energy: -61.857250
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -216.749695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.749695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.749695 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -63.787
Base-Backbone interact. energy: -0.104
local terms energy: -69.392050
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -10.431
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: 156
Temperature: 1.050000
Total energy: -190.415120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.415120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.415120 (E_RNA)
where:
Base-Base interactions energy: -120.648
where: short stacking energy: -49.123
Base-Backbone interact. energy: 0.681
local terms energy: -70.447976
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -186.766813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.766813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.766813 (E_RNA)
where:
Base-Base interactions energy: -118.003
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.134
local terms energy: -68.629351
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -8.438
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: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -173.651346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.651346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.651346 (E_RNA)
where:
Base-Base interactions energy: -112.026
where: short stacking energy: -51.174
Base-Backbone interact. energy: -0.021
local terms energy: -61.604326
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -11.827
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: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -96.192332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.192332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.192332 (E_RNA)
where:
Base-Base interactions energy: -38.409
where: short stacking energy: -33.332
Base-Backbone interact. energy: -0.675
local terms energy: -57.108355
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -78.346335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.346335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.346335 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -23.283
Base-Backbone interact. energy: -0.096
local terms energy: -46.952284
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -0.657
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: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -85.574353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.574353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.574353 (E_RNA)
where:
Base-Base interactions energy: -41.059
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.098
local terms energy: -44.416503
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -78.912965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.912965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.912965 (E_RNA)
where:
Base-Base interactions energy: -31.523
where: short stacking energy: -20.437
Base-Backbone interact. energy: -1.126
local terms energy: -46.264862
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -1.426
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: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -203.235811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.235811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.235811 (E_RNA)
where:
Base-Base interactions energy: -130.192
where: short stacking energy: -65.878
Base-Backbone interact. energy: 0.147
local terms energy: -73.191100
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -221.511409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.511409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.511409 (E_RNA)
where:
Base-Base interactions energy: -156.326
where: short stacking energy: -68.094
Base-Backbone interact. energy: 3.730
local terms energy: -68.916000
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -18.244
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: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -195.399843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.399843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.399843 (E_RNA)
where:
Base-Base interactions energy: -127.436
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.132
local terms energy: -67.832046
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -9.313
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: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -191.042964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.042964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.042964 (E_RNA)
where:
Base-Base interactions energy: -123.806
where: short stacking energy: -56.527
Base-Backbone interact. energy: 0.199
local terms energy: -67.435215
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -195.197322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.197322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.197322 (E_RNA)
where:
Base-Base interactions energy: -131.486
where: short stacking energy: -60.806
Base-Backbone interact. energy: -1.548
local terms energy: -62.162857
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -8.355
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -184.627644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.627644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.627644 (E_RNA)
where:
Base-Base interactions energy: -123.565
where: short stacking energy: -57.918
Base-Backbone interact. energy: -0.064
local terms energy: -60.999001
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -92.092399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.092399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.092399 (E_RNA)
where:
Base-Base interactions energy: -50.408
where: short stacking energy: -29.073
Base-Backbone interact. energy: -1.239
local terms energy: -40.445659
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -7.984
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -0.143
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: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -102.552173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.552173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.552173 (E_RNA)
where:
Base-Base interactions energy: -53.483
where: short stacking energy: -27.699
Base-Backbone interact. energy: -0.113
local terms energy: -48.956280
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -88.332966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.332966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.332966 (E_RNA)
where:
Base-Base interactions energy: -41.974
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.085
local terms energy: -46.273911
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -90.944814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.944814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.944814 (E_RNA)
where:
Base-Base interactions energy: -29.895
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.273
local terms energy: -60.776481
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -9.994
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -222.820336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.820336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.820336 (E_RNA)
where:
Base-Base interactions energy: -151.060
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.105
local terms energy: -71.655012
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -206.825243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.825243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.825243 (E_RNA)
where:
Base-Base interactions energy: -131.775
where: short stacking energy: -74.676
Base-Backbone interact. energy: -0.005
local terms energy: -75.045381
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -195.873277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.873277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.873277 (E_RNA)
where:
Base-Base interactions energy: -127.471
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.844
local terms energy: -67.557875
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -186.576058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.576058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.576058 (E_RNA)
where:
Base-Base interactions energy: -120.890
where: short stacking energy: -61.428
Base-Backbone interact. energy: -0.014
local terms energy: -65.672337
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -192.964077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.964077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.964077 (E_RNA)
where:
Base-Base interactions energy: -122.230
where: short stacking energy: -59.241
Base-Backbone interact. energy: -0.083
local terms energy: -70.650942
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -14.735
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: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -178.740410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.740410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.740410 (E_RNA)
where:
Base-Base interactions energy: -108.048
where: short stacking energy: -50.586
Base-Backbone interact. energy: -0.710
local terms energy: -69.982614
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -98.824477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.824477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.824477 (E_RNA)
where:
Base-Base interactions energy: -48.989
where: short stacking energy: -28.652
Base-Backbone interact. energy: 0.147
local terms energy: -49.981593
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -85.156063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.156063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.156063 (E_RNA)
where:
Base-Base interactions energy: -26.184
where: short stacking energy: -24.528
Base-Backbone interact. energy: -0.383
local terms energy: -58.589938
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -81.214742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.214742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.214742 (E_RNA)
where:
Base-Base interactions energy: -24.712
where: short stacking energy: -22.551
Base-Backbone interact. energy: -0.318
local terms energy: -56.185011
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -78.651961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.651961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.651961 (E_RNA)
where:
Base-Base interactions energy: -26.092
where: short stacking energy: -26.092
Base-Backbone interact. energy: -0.153
local terms energy: -52.407028
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -2.573
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: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -217.086347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.086347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.086347 (E_RNA)
where:
Base-Base interactions energy: -147.118
where: short stacking energy: -66.513
Base-Backbone interact. energy: -1.568
local terms energy: -68.400021
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -7.454
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: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -203.194409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.194409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.194409 (E_RNA)
where:
Base-Base interactions energy: -133.633
where: short stacking energy: -72.750
Base-Backbone interact. energy: 0.662
local terms energy: -70.223346
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -16.256
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: 159
Temperature: 1.000000
Total energy: -209.620088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.620088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.620088 (E_RNA)
where:
Base-Base interactions energy: -144.576
where: short stacking energy: -55.639
Base-Backbone interact. energy: -0.209
local terms energy: -64.834423
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -12.332
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: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -190.837003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.837003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.837003 (E_RNA)
where:
Base-Base interactions energy: -125.877
where: short stacking energy: -57.105
Base-Backbone interact. energy: -0.783
local terms energy: -64.177480
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -4.695
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: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -188.392999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.392999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.392999 (E_RNA)
where:
Base-Base interactions energy: -126.614
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.047
local terms energy: -61.732445
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -12.636
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: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -194.653593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.653593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.653593 (E_RNA)
where:
Base-Base interactions energy: -121.284
where: short stacking energy: -60.852
Base-Backbone interact. energy: 0.454
local terms energy: -73.823786
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -103.485249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.485249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.485249 (E_RNA)
where:
Base-Base interactions energy: -50.275
where: short stacking energy: -29.961
Base-Backbone interact. energy: 4.146
local terms energy: -57.355904
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -103.591884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.591884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.591884 (E_RNA)
where:
Base-Base interactions energy: -48.066
where: short stacking energy: -48.066
Base-Backbone interact. energy: 0.198
local terms energy: -55.724627
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -8.264
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: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -76.312517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.312517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.312517 (E_RNA)
where:
Base-Base interactions energy: -29.453
where: short stacking energy: -24.791
Base-Backbone interact. energy: -0.410
local terms energy: -46.449632
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -71.122053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.122053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.122053 (E_RNA)
where:
Base-Base interactions energy: -31.082
where: short stacking energy: -22.148
Base-Backbone interact. energy: -0.194
local terms energy: -39.846169
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -231.868655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.868655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.868655 (E_RNA)
where:
Base-Base interactions energy: -166.160
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.119
local terms energy: -65.589977
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -5.916
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: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -196.433576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.433576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.433576 (E_RNA)
where:
Base-Base interactions energy: -126.948
where: short stacking energy: -62.653
Base-Backbone interact. energy: 0.029
local terms energy: -69.514248
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -207.733869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.733869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.733869 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.182
local terms energy: -61.563487
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -199.815686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.815686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.815686 (E_RNA)
where:
Base-Base interactions energy: -130.951
where: short stacking energy: -61.287
Base-Backbone interact. energy: 1.386
local terms energy: -70.250154
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -190.463324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.463324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.463324 (E_RNA)
where:
Base-Base interactions energy: -130.046
where: short stacking energy: -54.672
Base-Backbone interact. energy: 0.338
local terms energy: -60.755717
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -13.822
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: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -185.851270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.851270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.851270 (E_RNA)
where:
Base-Base interactions energy: -121.956
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.182
local terms energy: -63.713790
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -7.228
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -87.876075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.876075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.876075 (E_RNA)
where:
Base-Base interactions energy: -35.945
where: short stacking energy: -34.137
Base-Backbone interact. energy: 0.659
local terms energy: -52.589789
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -109.428051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.428051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.428051 (E_RNA)
where:
Base-Base interactions energy: -59.676
where: short stacking energy: -23.968
Base-Backbone interact. energy: 2.635
local terms energy: -52.387405
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -98.599681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.599681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.599681 (E_RNA)
where:
Base-Base interactions energy: -52.600
where: short stacking energy: -19.897
Base-Backbone interact. energy: -1.249
local terms energy: -44.750532
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: 0.098
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: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -70.665664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.665664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.665664 (E_RNA)
where:
Base-Base interactions energy: -25.030
where: short stacking energy: -20.913
Base-Backbone interact. energy: -0.163
local terms energy: -45.473040
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: 2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -220.357788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.357788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.357788 (E_RNA)
where:
Base-Base interactions energy: -151.755
where: short stacking energy: -59.831
Base-Backbone interact. energy: -0.739
local terms energy: -67.863903
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -8.307
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: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -203.356769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.356769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.356769 (E_RNA)
where:
Base-Base interactions energy: -134.352
where: short stacking energy: -58.753
Base-Backbone interact. energy: -0.431
local terms energy: -68.573013
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.516
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: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -195.313240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.313240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.313240 (E_RNA)
where:
Base-Base interactions energy: -126.437
where: short stacking energy: -59.242
Base-Backbone interact. energy: -0.020
local terms energy: -68.855351
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -18.589
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: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -193.905582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.905582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.905582 (E_RNA)
where:
Base-Base interactions energy: -130.585
where: short stacking energy: -59.905
Base-Backbone interact. energy: -0.114
local terms energy: -63.206132
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -13.456
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: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -189.620211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.620211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.620211 (E_RNA)
where:
Base-Base interactions energy: -124.309
where: short stacking energy: -51.518
Base-Backbone interact. energy: -0.119
local terms energy: -65.191936
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -9.530
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: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -171.927762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.927762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.927762 (E_RNA)
where:
Base-Base interactions energy: -109.400
where: short stacking energy: -49.880
Base-Backbone interact. energy: -0.031
local terms energy: -62.496735
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -6.219
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -97.966793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.966793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.966793 (E_RNA)
where:
Base-Base interactions energy: -50.663
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.055
local terms energy: -47.248518
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -89.273300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.273300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.273300 (E_RNA)
where:
Base-Base interactions energy: -43.646
where: short stacking energy: -23.739
Base-Backbone interact. energy: 0.496
local terms energy: -46.122965
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -3.570
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: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -83.441936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.441936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.441936 (E_RNA)
where:
Base-Base interactions energy: -35.124
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.428
local terms energy: -47.890627
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -4.272
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: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -87.712915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.712915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.712915 (E_RNA)
where:
Base-Base interactions energy: -42.144
where: short stacking energy: -42.144
Base-Backbone interact. energy: -0.053
local terms energy: -45.515913
where:
bonds (distance) C4'-P energy: -6.216
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -9.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -215.870678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.870678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.870678 (E_RNA)
where:
Base-Base interactions energy: -147.741
where: short stacking energy: -65.133
Base-Backbone interact. energy: -0.317
local terms energy: -67.812636
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -4.917
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: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -214.668232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.668232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.668232 (E_RNA)
where:
Base-Base interactions energy: -143.873
where: short stacking energy: -63.928
Base-Backbone interact. energy: 0.011
local terms energy: -70.806284
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -198.902206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.902206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.902206 (E_RNA)
where:
Base-Base interactions energy: -128.447
where: short stacking energy: -69.216
Base-Backbone interact. energy: -0.111
local terms energy: -70.343700
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -11.059
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: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -191.949954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.949954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.949954 (E_RNA)
where:
Base-Base interactions energy: -129.652
where: short stacking energy: -56.135
Base-Backbone interact. energy: -0.683
local terms energy: -61.615582
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -7.451
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: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -204.906502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.906502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.906502 (E_RNA)
where:
Base-Base interactions energy: -137.854
where: short stacking energy: -66.006
Base-Backbone interact. energy: -0.005
local terms energy: -67.047202
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -14.791
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: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -180.125078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.125078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.125078 (E_RNA)
where:
Base-Base interactions energy: -120.335
where: short stacking energy: -50.079
Base-Backbone interact. energy: -0.120
local terms energy: -59.669809
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -88.704685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.704685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.704685 (E_RNA)
where:
Base-Base interactions energy: -42.170
where: short stacking energy: -27.984
Base-Backbone interact. energy: 0.791
local terms energy: -47.325086
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -93.719683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.719683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.719683 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -32.730
Base-Backbone interact. energy: -0.211
local terms energy: -58.205024
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -80.941642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.941642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.941642 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -27.817
Base-Backbone interact. energy: 0.317
local terms energy: -50.500621
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -1.750
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: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -78.587712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.587712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.587712 (E_RNA)
where:
Base-Base interactions energy: -37.193
where: short stacking energy: -34.264
Base-Backbone interact. energy: 1.157
local terms energy: -42.552297
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -1.863
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: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -220.648838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.648838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.648838 (E_RNA)
where:
Base-Base interactions energy: -145.916
where: short stacking energy: -60.757
Base-Backbone interact. energy: -0.404
local terms energy: -74.329121
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -17.587
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: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -228.081509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.081509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.081509 (E_RNA)
where:
Base-Base interactions energy: -159.360
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.276
local terms energy: -68.444759
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -7.086
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: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -185.152708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.152708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.152708 (E_RNA)
where:
Base-Base interactions energy: -119.410
where: short stacking energy: -58.569
Base-Backbone interact. energy: -0.117
local terms energy: -65.624989
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -13.422
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: 163
Temperature: 1.050000
Total energy: -202.574236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.574236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.574236 (E_RNA)
where:
Base-Base interactions energy: -141.997
where: short stacking energy: -55.163
Base-Backbone interact. energy: -0.068
local terms energy: -60.509057
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -184.803236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.803236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.803236 (E_RNA)
where:
Base-Base interactions energy: -120.111
where: short stacking energy: -53.099
Base-Backbone interact. energy: -0.652
local terms energy: -64.039958
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -179.328566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.328566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.328566 (E_RNA)
where:
Base-Base interactions energy: -113.315
where: short stacking energy: -56.735
Base-Backbone interact. energy: 0.218
local terms energy: -66.231132
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -6.783
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: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -118.863017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.863017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.863017 (E_RNA)
where:
Base-Base interactions energy: -68.203
where: short stacking energy: -34.496
Base-Backbone interact. energy: -1.760
local terms energy: -48.900235
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -103.869806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.869806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.869806 (E_RNA)
where:
Base-Base interactions energy: -53.928
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.154
local terms energy: -49.788513
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -2.052
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: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -79.300140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.300140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.300140 (E_RNA)
where:
Base-Base interactions energy: -26.462
where: short stacking energy: -26.135
Base-Backbone interact. energy: -0.250
local terms energy: -52.588248
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -76.477763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.477763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.477763 (E_RNA)
where:
Base-Base interactions energy: -35.893
where: short stacking energy: -35.123
Base-Backbone interact. energy: 1.780
local terms energy: -42.365164
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -226.519171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.519171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.519171 (E_RNA)
where:
Base-Base interactions energy: -168.159
where: short stacking energy: -59.936
Base-Backbone interact. energy: -0.596
local terms energy: -57.763974
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -1.803
tors. eta vs tors. theta energy: -11.637
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: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -209.930838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.930838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.930838 (E_RNA)
where:
Base-Base interactions energy: -142.002
where: short stacking energy: -61.658
Base-Backbone interact. energy: 0.192
local terms energy: -68.121059
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.629
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: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -199.593829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.593829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.593829 (E_RNA)
where:
Base-Base interactions energy: -141.432
where: short stacking energy: -50.919
Base-Backbone interact. energy: -0.348
local terms energy: -57.813197
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -9.371
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: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -189.040252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.040252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.040252 (E_RNA)
where:
Base-Base interactions energy: -122.301
where: short stacking energy: -57.417
Base-Backbone interact. energy: -0.008
local terms energy: -66.730630
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -16.415
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: 164
Temperature: 1.100000
Total energy: -194.681013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.681013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.681013 (E_RNA)
where:
Base-Base interactions energy: -122.732
where: short stacking energy: -62.553
Base-Backbone interact. energy: 0.193
local terms energy: -72.142434
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -18.430
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: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -185.791701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.791701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.791701 (E_RNA)
where:
Base-Base interactions energy: -112.636
where: short stacking energy: -55.925
Base-Backbone interact. energy: -0.012
local terms energy: -73.143324
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -16.303
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: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -133.316924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.316924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.316924 (E_RNA)
where:
Base-Base interactions energy: -79.945
where: short stacking energy: -36.083
Base-Backbone interact. energy: -0.179
local terms energy: -53.192940
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.298
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: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -115.152605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.152605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.152605 (E_RNA)
where:
Base-Base interactions energy: -62.526
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.067
local terms energy: -52.560062
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -5.011
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: 164
Temperature: 1.300000
Total energy: -85.299729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.299729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.299729 (E_RNA)
where:
Base-Base interactions energy: -33.000
where: short stacking energy: -30.393
Base-Backbone interact. energy: -0.051
local terms energy: -52.248271
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -7.846
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: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -88.941730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.941730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.941730 (E_RNA)
where:
Base-Base interactions energy: -43.662
where: short stacking energy: -23.733
Base-Backbone interact. energy: -0.277
local terms energy: -45.002588
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -1.680
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: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -239.127801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.127801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.127801 (E_RNA)
where:
Base-Base interactions energy: -170.832
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.319
local terms energy: -67.977433
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -216.065042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.065042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.065042 (E_RNA)
where:
Base-Base interactions energy: -152.150
where: short stacking energy: -61.037
Base-Backbone interact. energy: -0.497
local terms energy: -63.417931
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -6.555
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: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -194.229842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.229842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.229842 (E_RNA)
where:
Base-Base interactions energy: -120.885
where: short stacking energy: -57.207
Base-Backbone interact. energy: 1.837
local terms energy: -75.181144
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -14.426
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: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -187.655378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.655378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.655378 (E_RNA)
where:
Base-Base interactions energy: -121.172
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.002
local terms energy: -66.481530
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -207.470054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.470054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.470054 (E_RNA)
where:
Base-Base interactions energy: -132.620
where: short stacking energy: -57.579
Base-Backbone interact. energy: -0.383
local terms energy: -74.467735
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -16.046
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: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -179.348460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.348460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.348460 (E_RNA)
where:
Base-Base interactions energy: -114.923
where: short stacking energy: -56.790
Base-Backbone interact. energy: -0.127
local terms energy: -64.298504
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -16.899
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: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -143.343461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.343461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.343461 (E_RNA)
where:
Base-Base interactions energy: -82.484
where: short stacking energy: -36.849
Base-Backbone interact. energy: 1.011
local terms energy: -61.870508
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -5.266
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: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -89.541010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.541010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.541010 (E_RNA)
where:
Base-Base interactions energy: -41.225
where: short stacking energy: -38.133
Base-Backbone interact. energy: -0.308
local terms energy: -48.007879
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -84.367687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.367687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.367687 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -27.364
Base-Backbone interact. energy: 0.122
local terms energy: -51.182103
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -2.459
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: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -72.291266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.291266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.291266 (E_RNA)
where:
Base-Base interactions energy: -25.850
where: short stacking energy: -24.586
Base-Backbone interact. energy: 1.006
local terms energy: -47.447446
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -238.521799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.521799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.521799 (E_RNA)
where:
Base-Base interactions energy: -163.977
where: short stacking energy: -56.789
Base-Backbone interact. energy: -0.869
local terms energy: -73.675677
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -201.050724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.050724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.050724 (E_RNA)
where:
Base-Base interactions energy: -130.173
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.157
local terms energy: -70.719757
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -203.565685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.565685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.565685 (E_RNA)
where:
Base-Base interactions energy: -134.057
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.024
local terms energy: -69.483760
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -205.859698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.859698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.859698 (E_RNA)
where:
Base-Base interactions energy: -135.972
where: short stacking energy: -63.352
Base-Backbone interact. energy: -0.003
local terms energy: -69.884287
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -192.340555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.340555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.340555 (E_RNA)
where:
Base-Base interactions energy: -123.362
where: short stacking energy: -50.595
Base-Backbone interact. energy: -0.123
local terms energy: -68.855190
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -177.746527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.746527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.746527 (E_RNA)
where:
Base-Base interactions energy: -116.228
where: short stacking energy: -43.990
Base-Backbone interact. energy: -0.797
local terms energy: -60.721478
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -140.551555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.551555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.551555 (E_RNA)
where:
Base-Base interactions energy: -83.373
where: short stacking energy: -52.834
Base-Backbone interact. energy: -0.166
local terms energy: -57.011778
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -81.252449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.252449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.252449 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -23.350
Base-Backbone interact. energy: -1.000
local terms energy: -52.630647
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -3.967
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -80.924132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.924132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.924132 (E_RNA)
where:
Base-Base interactions energy: -46.015
where: short stacking energy: -27.794
Base-Backbone interact. energy: -0.353
local terms energy: -34.556497
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -1.150
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -69.404915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.404915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.404915 (E_RNA)
where:
Base-Base interactions energy: -25.161
where: short stacking energy: -25.161
Base-Backbone interact. energy: -0.078
local terms energy: -44.165834
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: 2.303
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: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -233.879580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.879580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.879580 (E_RNA)
where:
Base-Base interactions energy: -171.633
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.532
local terms energy: -61.714312
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -198.259929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.259929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.259929 (E_RNA)
where:
Base-Base interactions energy: -127.247
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.787
local terms energy: -70.225511
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -15.613
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: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -203.693322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.693322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.693322 (E_RNA)
where:
Base-Base interactions energy: -145.737
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.363
local terms energy: -57.593342
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -210.210960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.210960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.210960 (E_RNA)
where:
Base-Base interactions energy: -145.743
where: short stacking energy: -51.743
Base-Backbone interact. energy: -0.078
local terms energy: -64.389428
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -1.952
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: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -174.189932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.189932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.189932 (E_RNA)
where:
Base-Base interactions energy: -115.955
where: short stacking energy: -53.103
Base-Backbone interact. energy: -0.031
local terms energy: -58.204107
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -185.501738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.501738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.501738 (E_RNA)
where:
Base-Base interactions energy: -120.551
where: short stacking energy: -61.504
Base-Backbone interact. energy: -0.007
local terms energy: -64.942842
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -15.490
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: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -133.408281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.408281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.408281 (E_RNA)
where:
Base-Base interactions energy: -73.837
where: short stacking energy: -36.571
Base-Backbone interact. energy: -0.191
local terms energy: -59.379751
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -89.537868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.537868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.537868 (E_RNA)
where:
Base-Base interactions energy: -37.448
where: short stacking energy: -34.591
Base-Backbone interact. energy: -0.065
local terms energy: -52.025226
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -8.035
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: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -90.255857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.255857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.255857 (E_RNA)
where:
Base-Base interactions energy: -32.866
where: short stacking energy: -32.866
Base-Backbone interact. energy: -0.154
local terms energy: -57.235195
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -7.069
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: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -80.282280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.282280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.282280 (E_RNA)
where:
Base-Base interactions energy: -42.610
where: short stacking energy: -37.359
Base-Backbone interact. energy: 1.539
local terms energy: -39.210349
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -7.368
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -1.379
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: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -238.363537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.363537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.363537 (E_RNA)
where:
Base-Base interactions energy: -168.945
where: short stacking energy: -61.046
Base-Backbone interact. energy: -1.384
local terms energy: -68.034817
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -14.982
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: 168
Temperature: 0.950000
Total energy: -201.334550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.334550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.334550 (E_RNA)
where:
Base-Base interactions energy: -126.184
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.004
local terms energy: -75.145777
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.059
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: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -213.114205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.114205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.114205 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -57.587
Base-Backbone interact. energy: -0.254
local terms energy: -63.491966
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -5.086
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: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -206.291362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.291362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.291362 (E_RNA)
where:
Base-Base interactions energy: -142.748
where: short stacking energy: -46.733
Base-Backbone interact. energy: -0.257
local terms energy: -63.286189
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -184.670273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.670273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.670273 (E_RNA)
where:
Base-Base interactions energy: -123.042
where: short stacking energy: -52.487
Base-Backbone interact. energy: -0.006
local terms energy: -61.622174
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -185.924259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.924259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.924259 (E_RNA)
where:
Base-Base interactions energy: -114.550
where: short stacking energy: -58.515
Base-Backbone interact. energy: 1.280
local terms energy: -72.654059
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -138.360757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.360757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.360757 (E_RNA)
where:
Base-Base interactions energy: -76.713
where: short stacking energy: -40.012
Base-Backbone interact. energy: -0.811
local terms energy: -60.836640
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -91.913363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913363 (E_RNA)
where:
Base-Base interactions energy: -44.854
where: short stacking energy: -38.292
Base-Backbone interact. energy: -0.064
local terms energy: -46.994752
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -5.366
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: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -79.355470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.355470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.355470 (E_RNA)
where:
Base-Base interactions energy: -27.333
where: short stacking energy: -27.225
Base-Backbone interact. energy: -0.057
local terms energy: -51.965788
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -77.814909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.814909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.814909 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.942
local terms energy: -41.037392
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: 0.052
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: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -229.526273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.526273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.526273 (E_RNA)
where:
Base-Base interactions energy: -165.542
where: short stacking energy: -66.095
Base-Backbone interact. energy: 3.212
local terms energy: -67.196240
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -212.644279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.644279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.644279 (E_RNA)
where:
Base-Base interactions energy: -141.802
where: short stacking energy: -64.487
Base-Backbone interact. energy: -0.528
local terms energy: -70.313620
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -18.499
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: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -194.537817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.537817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.537817 (E_RNA)
where:
Base-Base interactions energy: -125.231
where: short stacking energy: -54.462
Base-Backbone interact. energy: -0.007
local terms energy: -69.300154
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -13.262
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: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -185.060335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.060335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.060335 (E_RNA)
where:
Base-Base interactions energy: -113.518
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.036
local terms energy: -71.506236
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -183.730560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.730560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.730560 (E_RNA)
where:
Base-Base interactions energy: -122.724
where: short stacking energy: -56.639
Base-Backbone interact. energy: -0.079
local terms energy: -60.928205
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -7.919
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -183.149293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.149293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.149293 (E_RNA)
where:
Base-Base interactions energy: -120.243
where: short stacking energy: -58.207
Base-Backbone interact. energy: 0.230
local terms energy: -63.135996
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -130.768639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.768639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.768639 (E_RNA)
where:
Base-Base interactions energy: -73.990
where: short stacking energy: -30.442
Base-Backbone interact. energy: -0.377
local terms energy: -56.401732
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -5.001
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: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -87.322647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.322647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.322647 (E_RNA)
where:
Base-Base interactions energy: -30.852
where: short stacking energy: -30.852
Base-Backbone interact. energy: -0.121
local terms energy: -56.350105
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -78.073160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.073160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.073160 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -23.503
Base-Backbone interact. energy: -0.217
local terms energy: -40.069598
where:
bonds (distance) C4'-P energy: -3.164
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -82.644042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.644042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.644042 (E_RNA)
where:
Base-Base interactions energy: -27.812
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.151
local terms energy: -54.681574
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -11.872
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: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -229.372519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.372519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.372519 (E_RNA)
where:
Base-Base interactions energy: -153.627
where: short stacking energy: -66.274
Base-Backbone interact. energy: -0.919
local terms energy: -74.827298
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.527
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: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -210.202949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.202949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.202949 (E_RNA)
where:
Base-Base interactions energy: -131.589
where: short stacking energy: -66.576
Base-Backbone interact. energy: -1.205
local terms energy: -77.409137
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -20.042
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: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -184.872024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.872024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.872024 (E_RNA)
where:
Base-Base interactions energy: -116.597
where: short stacking energy: -51.324
Base-Backbone interact. energy: -0.906
local terms energy: -67.368313
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -185.388996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.388996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.388996 (E_RNA)
where:
Base-Base interactions energy: -114.668
where: short stacking energy: -50.306
Base-Backbone interact. energy: 1.054
local terms energy: -71.775392
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -187.764900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.764900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.764900 (E_RNA)
where:
Base-Base interactions energy: -122.184
where: short stacking energy: -53.503
Base-Backbone interact. energy: -0.109
local terms energy: -65.472291
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -168.657380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.657380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.657380 (E_RNA)
where:
Base-Base interactions energy: -107.423
where: short stacking energy: -41.432
Base-Backbone interact. energy: -0.649
local terms energy: -60.585858
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -145.550237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.550237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.550237 (E_RNA)
where:
Base-Base interactions energy: -83.359
where: short stacking energy: -51.398
Base-Backbone interact. energy: -0.004
local terms energy: -62.186632
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -91.470832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.470832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.470832 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -36.816
Base-Backbone interact. energy: -0.141
local terms energy: -54.513657
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -76.355732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.355732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.355732 (E_RNA)
where:
Base-Base interactions energy: -26.608
where: short stacking energy: -25.508
Base-Backbone interact. energy: -0.684
local terms energy: -49.063805
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -72.900161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.900161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.900161 (E_RNA)
where:
Base-Base interactions energy: -41.311
where: short stacking energy: -16.392
Base-Backbone interact. energy: 0.256
local terms energy: -31.845153
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: 6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -229.073406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.073406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.073406 (E_RNA)
where:
Base-Base interactions energy: -162.717
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.221
local terms energy: -66.135026
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -15.219
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: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -190.491133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.491133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.491133 (E_RNA)
where:
Base-Base interactions energy: -125.189
where: short stacking energy: -54.777
Base-Backbone interact. energy: -0.136
local terms energy: -65.166308
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -197.092212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.092212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.092212 (E_RNA)
where:
Base-Base interactions energy: -129.783
where: short stacking energy: -60.657
Base-Backbone interact. energy: -0.084
local terms energy: -67.225359
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -5.607
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: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -199.608609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.608609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.608609 (E_RNA)
where:
Base-Base interactions energy: -133.489
where: short stacking energy: -59.643
Base-Backbone interact. energy: 0.132
local terms energy: -66.252032
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -175.491264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.491264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.491264 (E_RNA)
where:
Base-Base interactions energy: -118.649
where: short stacking energy: -57.673
Base-Backbone interact. energy: -0.028
local terms energy: -56.814404
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -7.763
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -173.609835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.609835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.609835 (E_RNA)
where:
Base-Base interactions energy: -110.747
where: short stacking energy: -47.915
Base-Backbone interact. energy: -0.340
local terms energy: -62.522429
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -135.599460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.599460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.599460 (E_RNA)
where:
Base-Base interactions energy: -80.660
where: short stacking energy: -48.608
Base-Backbone interact. energy: -0.086
local terms energy: -54.853733
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -11.804
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: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -92.217858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.217858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.217858 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -30.639
Base-Backbone interact. energy: -0.020
local terms energy: -58.377127
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -6.661
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: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -75.600311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.600311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.600311 (E_RNA)
where:
Base-Base interactions energy: -32.115
where: short stacking energy: -32.315
Base-Backbone interact. energy: 0.883
local terms energy: -44.368634
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -79.675840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.675840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.675840 (E_RNA)
where:
Base-Base interactions energy: -36.696
where: short stacking energy: -25.912
Base-Backbone interact. energy: 1.003
local terms energy: -43.983232
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -2.144
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -206.515961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.515961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.515961 (E_RNA)
where:
Base-Base interactions energy: -135.473
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.045
local terms energy: -70.998294
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -224.142137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.142137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.142137 (E_RNA)
where:
Base-Base interactions energy: -159.249
where: short stacking energy: -60.807
Base-Backbone interact. energy: -0.042
local terms energy: -64.851598
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -205.236065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.236065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.236065 (E_RNA)
where:
Base-Base interactions energy: -134.648
where: short stacking energy: -58.993
Base-Backbone interact. energy: -0.094
local terms energy: -70.494510
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -186.053951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.053951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.053951 (E_RNA)
where:
Base-Base interactions energy: -119.970
where: short stacking energy: -50.528
Base-Backbone interact. energy: -0.105
local terms energy: -65.978138
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -188.361421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.361421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.361421 (E_RNA)
where:
Base-Base interactions energy: -120.290
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.001
local terms energy: -68.070402
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -166.643640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.643640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.643640 (E_RNA)
where:
Base-Base interactions energy: -106.693
where: short stacking energy: -55.561
Base-Backbone interact. energy: -0.055
local terms energy: -59.895802
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -135.251366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.251366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.251366 (E_RNA)
where:
Base-Base interactions energy: -78.978
where: short stacking energy: -39.036
Base-Backbone interact. energy: -0.014
local terms energy: -56.259734
where:
bonds (distance) C4'-P energy: -4.772
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -80.632164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.632164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.632164 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -23.091
Base-Backbone interact. energy: -0.447
local terms energy: -46.627938
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -91.293348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.293348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.293348 (E_RNA)
where:
Base-Base interactions energy: -55.086
where: short stacking energy: -27.290
Base-Backbone interact. energy: -0.187
local terms energy: -36.020388
where:
bonds (distance) C4'-P energy: -7.284
bonds (distance) P-C4' energy: -9.592
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -1.699
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -86.923558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.923558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.923558 (E_RNA)
where:
Base-Base interactions energy: -31.191
where: short stacking energy: -31.680
Base-Backbone interact. energy: -0.042
local terms energy: -55.690950
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -5.396
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: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -205.637759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.637759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.637759 (E_RNA)
where:
Base-Base interactions energy: -143.161
where: short stacking energy: -60.890
Base-Backbone interact. energy: -0.233
local terms energy: -62.243532
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -221.373882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.373882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.373882 (E_RNA)
where:
Base-Base interactions energy: -151.281
where: short stacking energy: -57.749
Base-Backbone interact. energy: 0.534
local terms energy: -70.626895
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -196.759535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.759535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.759535 (E_RNA)
where:
Base-Base interactions energy: -129.524
where: short stacking energy: -64.255
Base-Backbone interact. energy: -0.003
local terms energy: -67.233074
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -186.032973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.032973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.032973 (E_RNA)
where:
Base-Base interactions energy: -115.075
where: short stacking energy: -60.499
Base-Backbone interact. energy: -0.314
local terms energy: -70.643871
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -182.887554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.887554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.887554 (E_RNA)
where:
Base-Base interactions energy: -123.076
where: short stacking energy: -57.204
Base-Backbone interact. energy: -0.035
local terms energy: -59.776502
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -8.401
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: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -197.185671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.185671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.185671 (E_RNA)
where:
Base-Base interactions energy: -135.234
where: short stacking energy: -56.685
Base-Backbone interact. energy: 0.789
local terms energy: -62.740613
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -126.114872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.114872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.114872 (E_RNA)
where:
Base-Base interactions energy: -68.827
where: short stacking energy: -35.208
Base-Backbone interact. energy: -0.515
local terms energy: -56.773077
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -135.285976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.285976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.285976 (E_RNA)
where:
Base-Base interactions energy: -75.636
where: short stacking energy: -45.190
Base-Backbone interact. energy: -0.133
local terms energy: -59.517007
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -6.599
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: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -87.625770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.625770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.625770 (E_RNA)
where:
Base-Base interactions energy: -30.534
where: short stacking energy: -25.822
Base-Backbone interact. energy: -0.003
local terms energy: -57.089112
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -91.198308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.198308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.198308 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -33.322
Base-Backbone interact. energy: -0.384
local terms energy: -48.613095
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -212.335603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.335603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.335603 (E_RNA)
where:
Base-Base interactions energy: -141.274
where: short stacking energy: -59.452
Base-Backbone interact. energy: -0.840
local terms energy: -70.221440
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -191.575202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.575202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.575202 (E_RNA)
where:
Base-Base interactions energy: -122.229
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.068
local terms energy: -69.278095
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -208.955993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.955993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.955993 (E_RNA)
where:
Base-Base interactions energy: -143.442
where: short stacking energy: -56.360
Base-Backbone interact. energy: -0.058
local terms energy: -65.456720
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -185.487968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.487968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.487968 (E_RNA)
where:
Base-Base interactions energy: -122.119
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.319
local terms energy: -63.049917
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -3.478
tors. eta vs tors. theta energy: -15.721
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: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -178.197708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.197708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.197708 (E_RNA)
where:
Base-Base interactions energy: -119.592
where: short stacking energy: -62.091
Base-Backbone interact. energy: 0.959
local terms energy: -59.564492
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -11.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -174.272084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.272084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.272084 (E_RNA)
where:
Base-Base interactions energy: -112.158
where: short stacking energy: -52.095
Base-Backbone interact. energy: -0.133
local terms energy: -61.981292
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -3.373
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -147.336741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.336741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.336741 (E_RNA)
where:
Base-Base interactions energy: -94.397
where: short stacking energy: -39.578
Base-Backbone interact. energy: -0.039
local terms energy: -52.900485
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -127.193556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.193556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.193556 (E_RNA)
where:
Base-Base interactions energy: -80.723
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.052
local terms energy: -46.418747
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -101.051518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.051518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.051518 (E_RNA)
where:
Base-Base interactions energy: -50.209
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.922
local terms energy: -49.920367
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -1.960
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: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -79.738868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.738868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.738868 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -34.015
Base-Backbone interact. energy: 1.148
local terms energy: -45.149745
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: 0.278
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -226.448488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.448488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.448488 (E_RNA)
where:
Base-Base interactions energy: -150.563
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.305
local terms energy: -75.580871
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -229.151168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.151168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.151168 (E_RNA)
where:
Base-Base interactions energy: -160.240
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.579
local terms energy: -68.332851
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -6.643
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: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -189.564761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.564761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.564761 (E_RNA)
where:
Base-Base interactions energy: -119.705
where: short stacking energy: -57.931
Base-Backbone interact. energy: -0.076
local terms energy: -69.782993
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -189.605680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.605680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.605680 (E_RNA)
where:
Base-Base interactions energy: -129.724
where: short stacking energy: -53.121
Base-Backbone interact. energy: -0.228
local terms energy: -59.654124
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -9.018
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: 175
Temperature: 1.100000
Total energy: -176.360796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.360796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.360796 (E_RNA)
where:
Base-Base interactions energy: -115.733
where: short stacking energy: -55.015
Base-Backbone interact. energy: -0.105
local terms energy: -60.521960
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -178.885176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.885176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.885176 (E_RNA)
where:
Base-Base interactions energy: -118.771
where: short stacking energy: -55.152
Base-Backbone interact. energy: -0.101
local terms energy: -60.013313
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -126.854718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.854718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.854718 (E_RNA)
where:
Base-Base interactions energy: -67.279
where: short stacking energy: -41.308
Base-Backbone interact. energy: -0.116
local terms energy: -59.459848
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -126.454996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.454996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.454996 (E_RNA)
where:
Base-Base interactions energy: -71.681
where: short stacking energy: -34.167
Base-Backbone interact. energy: 0.024
local terms energy: -54.798382
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -108.917489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.917489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.917489 (E_RNA)
where:
Base-Base interactions energy: -50.491
where: short stacking energy: -26.210
Base-Backbone interact. energy: -0.126
local terms energy: -58.301135
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -80.265148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.265148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.265148 (E_RNA)
where:
Base-Base interactions energy: -22.280
where: short stacking energy: -22.280
Base-Backbone interact. energy: -0.356
local terms energy: -57.629180
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -229.553837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.553837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.553837 (E_RNA)
where:
Base-Base interactions energy: -151.727
where: short stacking energy: -57.302
Base-Backbone interact. energy: -1.320
local terms energy: -76.507474
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -14.466
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -222.769494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.769494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.769494 (E_RNA)
where:
Base-Base interactions energy: -154.204
where: short stacking energy: -56.829
Base-Backbone interact. energy: -0.520
local terms energy: -68.045898
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -6.553
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: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -208.100452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.100452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.100452 (E_RNA)
where:
Base-Base interactions energy: -140.531
where: short stacking energy: -62.330
Base-Backbone interact. energy: 0.230
local terms energy: -67.798963
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -6.214
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: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -185.636943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.636943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.636943 (E_RNA)
where:
Base-Base interactions energy: -113.247
where: short stacking energy: -61.180
Base-Backbone interact. energy: -0.001
local terms energy: -72.389257
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -179.957615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.957615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.957615 (E_RNA)
where:
Base-Base interactions energy: -121.049
where: short stacking energy: -51.094
Base-Backbone interact. energy: -0.163
local terms energy: -58.745868
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -172.352388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.352388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.352388 (E_RNA)
where:
Base-Base interactions energy: -113.803
where: short stacking energy: -51.713
Base-Backbone interact. energy: -1.143
local terms energy: -57.406096
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -128.682720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.682720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.682720 (E_RNA)
where:
Base-Base interactions energy: -70.507
where: short stacking energy: -36.011
Base-Backbone interact. energy: -1.855
local terms energy: -56.320750
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -130.304493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.304493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.304493 (E_RNA)
where:
Base-Base interactions energy: -79.648
where: short stacking energy: -46.006
Base-Backbone interact. energy: 3.269
local terms energy: -53.925885
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -6.994
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: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -81.529027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.529027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.529027 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -16.720
Base-Backbone interact. energy: -0.200
local terms energy: -51.769787
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -9.517
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -5.233
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: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -81.230829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.230829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.230829 (E_RNA)
where:
Base-Base interactions energy: -38.356
where: short stacking energy: -29.171
Base-Backbone interact. energy: -0.055
local terms energy: -42.819667
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -218.812359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.812359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.812359 (E_RNA)
where:
Base-Base interactions energy: -144.323
where: short stacking energy: -57.529
Base-Backbone interact. energy: -0.116
local terms energy: -74.373637
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -200.884753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.884753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.884753 (E_RNA)
where:
Base-Base interactions energy: -130.159
where: short stacking energy: -53.775
Base-Backbone interact. energy: -0.008
local terms energy: -70.717898
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -216.580244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.580244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.580244 (E_RNA)
where:
Base-Base interactions energy: -156.399
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.259
local terms energy: -59.922791
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -3.088
tors. eta vs tors. theta energy: -10.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -185.809268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.809268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.809268 (E_RNA)
where:
Base-Base interactions energy: -114.002
where: short stacking energy: -57.086
Base-Backbone interact. energy: -0.111
local terms energy: -71.695845
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -177.483973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.483973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.483973 (E_RNA)
where:
Base-Base interactions energy: -113.014
where: short stacking energy: -54.409
Base-Backbone interact. energy: -0.002
local terms energy: -64.468468
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -17.489
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: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -177.098599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.098599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.098599 (E_RNA)
where:
Base-Base interactions energy: -115.969
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.110
local terms energy: -61.019714
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -132.006825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.006825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.006825 (E_RNA)
where:
Base-Base interactions energy: -75.657
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.350
local terms energy: -56.000221
where:
bonds (distance) C4'-P energy: -5.460
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -104.612655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.612655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.612655 (E_RNA)
where:
Base-Base interactions energy: -56.477
where: short stacking energy: -31.323
Base-Backbone interact. energy: -0.092
local terms energy: -48.043077
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -8.228
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -0.989
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: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -119.412138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.412138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.412138 (E_RNA)
where:
Base-Base interactions energy: -67.793
where: short stacking energy: -37.682
Base-Backbone interact. energy: 0.165
local terms energy: -51.783807
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -4.606
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: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -89.097552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.097552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.097552 (E_RNA)
where:
Base-Base interactions energy: -34.884
where: short stacking energy: -34.884
Base-Backbone interact. energy: -0.200
local terms energy: -54.014001
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -6.274
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: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -200.487339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.487339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.487339 (E_RNA)
where:
Base-Base interactions energy: -129.158
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.046
local terms energy: -71.283299
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -219.401992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.401992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.401992 (E_RNA)
where:
Base-Base interactions energy: -156.871
where: short stacking energy: -64.258
Base-Backbone interact. energy: -0.297
local terms energy: -62.234288
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -204.191553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.191553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.191553 (E_RNA)
where:
Base-Base interactions energy: -142.862
where: short stacking energy: -57.871
Base-Backbone interact. energy: 0.267
local terms energy: -61.596317
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -9.875
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: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -195.117025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.117025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.117025 (E_RNA)
where:
Base-Base interactions energy: -128.803
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.115
local terms energy: -66.199000
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -184.377441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.377441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.377441 (E_RNA)
where:
Base-Base interactions energy: -127.454
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.012
local terms energy: -56.912175
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -4.883
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: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -139.725707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.725707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.725707 (E_RNA)
where:
Base-Base interactions energy: -81.956
where: short stacking energy: -38.895
Base-Backbone interact. energy: 0.262
local terms energy: -58.031505
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -5.850
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: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -96.795538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.795538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.795538 (E_RNA)
where:
Base-Base interactions energy: -37.567
where: short stacking energy: -35.349
Base-Backbone interact. energy: -1.642
local terms energy: -57.586745
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -7.052
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: 178
Temperature: 1.250000
Total energy: -125.771892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.771892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.771892 (E_RNA)
where:
Base-Base interactions energy: -81.103
where: short stacking energy: -46.782
Base-Backbone interact. energy: 1.313
local terms energy: -45.982035
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -92.129356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.129356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.129356 (E_RNA)
where:
Base-Base interactions energy: -36.446
where: short stacking energy: -35.194
Base-Backbone interact. energy: -0.006
local terms energy: -55.677101
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -78.511151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.511151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.511151 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -34.955
Base-Backbone interact. energy: 0.034
local terms energy: -43.353369
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -206.611675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.611675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.611675 (E_RNA)
where:
Base-Base interactions energy: -131.677
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.013
local terms energy: -74.921728
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -10.775
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: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -209.255643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.255643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.255643 (E_RNA)
where:
Base-Base interactions energy: -135.439
where: short stacking energy: -56.085
Base-Backbone interact. energy: -0.228
local terms energy: -73.588584
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -11.196
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: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -202.891474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.891474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.891474 (E_RNA)
where:
Base-Base interactions energy: -141.186
where: short stacking energy: -53.489
Base-Backbone interact. energy: 1.041
local terms energy: -62.746276
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -11.170
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: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -185.483352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.483352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.483352 (E_RNA)
where:
Base-Base interactions energy: -126.094
where: short stacking energy: -61.626
Base-Backbone interact. energy: -0.370
local terms energy: -59.019802
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -7.046
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -177.300330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.300330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.300330 (E_RNA)
where:
Base-Base interactions energy: -120.998
where: short stacking energy: -48.145
Base-Backbone interact. energy: -0.157
local terms energy: -56.144896
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -4.188
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -154.410500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.410500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.410500 (E_RNA)
where:
Base-Base interactions energy: -90.255
where: short stacking energy: -41.926
Base-Backbone interact. energy: -0.504
local terms energy: -63.652056
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -3.725
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -86.860405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.860405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.860405 (E_RNA)
where:
Base-Base interactions energy: -31.751
where: short stacking energy: -31.751
Base-Backbone interact. energy: -0.012
local terms energy: -55.097927
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -2.503
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: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -86.619914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.619914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.619914 (E_RNA)
where:
Base-Base interactions energy: -28.328
where: short stacking energy: -28.328
Base-Backbone interact. energy: -0.205
local terms energy: -58.087039
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -12.821
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: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -84.598249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.598249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.598249 (E_RNA)
where:
Base-Base interactions energy: -35.359
where: short stacking energy: -35.219
Base-Backbone interact. energy: -0.060
local terms energy: -49.178777
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -81.010166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.010166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.010166 (E_RNA)
where:
Base-Base interactions energy: -20.039
where: short stacking energy: -19.340
Base-Backbone interact. energy: -0.754
local terms energy: -60.216451
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -7.488
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: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -216.502985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.502985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.502985 (E_RNA)
where:
Base-Base interactions energy: -146.964
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.252
local terms energy: -69.286994
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -207.445136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.445136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.445136 (E_RNA)
where:
Base-Base interactions energy: -129.774
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.441
local terms energy: -77.230057
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -15.768
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: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -191.683642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.683642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.683642 (E_RNA)
where:
Base-Base interactions energy: -126.024
where: short stacking energy: -52.479
Base-Backbone interact. energy: -0.045
local terms energy: -65.614202
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -190.792294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.792294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.792294 (E_RNA)
where:
Base-Base interactions energy: -116.771
where: short stacking energy: -57.056
Base-Backbone interact. energy: -0.370
local terms energy: -73.651826
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -17.958
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: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -185.604124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.604124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.604124 (E_RNA)
where:
Base-Base interactions energy: -120.749
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.156
local terms energy: -64.699290
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -176.172255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.172255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.172255 (E_RNA)
where:
Base-Base interactions energy: -111.198
where: short stacking energy: -53.061
Base-Backbone interact. energy: -0.020
local terms energy: -64.954536
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -99.018578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.018578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.018578 (E_RNA)
where:
Base-Base interactions energy: -39.887
where: short stacking energy: -30.285
Base-Backbone interact. energy: -0.134
local terms energy: -58.997662
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -106.006832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.006832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.006832 (E_RNA)
where:
Base-Base interactions energy: -47.613
where: short stacking energy: -23.732
Base-Backbone interact. energy: -0.535
local terms energy: -57.859048
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -1.805
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: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -88.385066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.385066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.385066 (E_RNA)
where:
Base-Base interactions energy: -36.856
where: short stacking energy: -28.173
Base-Backbone interact. energy: -0.663
local terms energy: -50.865985
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -78.279871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.279871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.279871 (E_RNA)
where:
Base-Base interactions energy: -40.804
where: short stacking energy: -31.552
Base-Backbone interact. energy: 1.604
local terms energy: -39.080784
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: 0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -218.134765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.134765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.134765 (E_RNA)
where:
Base-Base interactions energy: -146.380
where: short stacking energy: -58.869
Base-Backbone interact. energy: -0.161
local terms energy: -71.593142
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -195.863643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.863643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.863643 (E_RNA)
where:
Base-Base interactions energy: -131.181
where: short stacking energy: -64.345
Base-Backbone interact. energy: -0.039
local terms energy: -64.643496
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -191.649107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.649107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.649107 (E_RNA)
where:
Base-Base interactions energy: -121.792
where: short stacking energy: -47.333
Base-Backbone interact. energy: -0.814
local terms energy: -69.043128
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -203.500333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.500333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.500333 (E_RNA)
where:
Base-Base interactions energy: -127.302
where: short stacking energy: -64.257
Base-Backbone interact. energy: -0.096
local terms energy: -76.102765
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -195.476024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.476024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.476024 (E_RNA)
where:
Base-Base interactions energy: -123.531
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.205
local terms energy: -71.740758
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -179.198860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.198860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.198860 (E_RNA)
where:
Base-Base interactions energy: -117.105
where: short stacking energy: -49.023
Base-Backbone interact. energy: -1.649
local terms energy: -60.445256
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -92.792462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.792462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.792462 (E_RNA)
where:
Base-Base interactions energy: -46.064
where: short stacking energy: -32.301
Base-Backbone interact. energy: -0.420
local terms energy: -46.308567
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -88.047059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047059 (E_RNA)
where:
Base-Base interactions energy: -35.237
where: short stacking energy: -24.930
Base-Backbone interact. energy: -0.190
local terms energy: -52.620248
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -2.052
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: 9, replica: 4
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -76.362442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.362442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.362442 (E_RNA)
where:
Base-Base interactions energy: -26.836
where: short stacking energy: -25.984
Base-Backbone interact. energy: -0.209
local terms energy: -49.317521
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -81.623003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.623003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.623003 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -34.038
Base-Backbone interact. energy: -0.775
local terms energy: -44.909815
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -6.903
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: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -208.469428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.469428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.469428 (E_RNA)
where:
Base-Base interactions energy: -144.519
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.634
local terms energy: -63.316149
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -212.152734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.152734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.152734 (E_RNA)
where:
Base-Base interactions energy: -141.171
where: short stacking energy: -54.536
Base-Backbone interact. energy: -0.748
local terms energy: -70.233799
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -11.791
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: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -198.273436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.273436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.273436 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -70.020
Base-Backbone interact. energy: -0.001
local terms energy: -69.244227
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -7.970
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: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -207.410415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.410415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.410415 (E_RNA)
where:
Base-Base interactions energy: -141.155
where: short stacking energy: -61.528
Base-Backbone interact. energy: -1.053
local terms energy: -65.202434
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -176.340823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.340823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.340823 (E_RNA)
where:
Base-Base interactions energy: -116.872
where: short stacking energy: -51.176
Base-Backbone interact. energy: 0.381
local terms energy: -59.849885
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -11.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -180.941529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.941529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.941529 (E_RNA)
where:
Base-Base interactions energy: -118.151
where: short stacking energy: -54.177
Base-Backbone interact. energy: 0.679
local terms energy: -63.469196
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -8.819
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: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -135.077943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.077943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.077943 (E_RNA)
where:
Base-Base interactions energy: -83.103
where: short stacking energy: -47.107
Base-Backbone interact. energy: -0.092
local terms energy: -51.882998
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -77.124924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.124924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.124924 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -13.334
Base-Backbone interact. energy: 0.648
local terms energy: -45.444870
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: 2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -73.123148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.123148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.123148 (E_RNA)
where:
Base-Base interactions energy: -25.881
where: short stacking energy: -22.646
Base-Backbone interact. energy: -0.157
local terms energy: -47.084708
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: 1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -81.858449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.858449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.858449 (E_RNA)
where:
Base-Base interactions energy: -30.443
where: short stacking energy: -19.364
Base-Backbone interact. energy: -0.102
local terms energy: -51.313725
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -215.329553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.329553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.329553 (E_RNA)
where:
Base-Base interactions energy: -146.917
where: short stacking energy: -68.908
Base-Backbone interact. energy: -0.412
local terms energy: -68.001089
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -212.752277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.752277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.752277 (E_RNA)
where:
Base-Base interactions energy: -142.014
where: short stacking energy: -59.823
Base-Backbone interact. energy: -0.397
local terms energy: -70.341158
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -203.539498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.539498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.539498 (E_RNA)
where:
Base-Base interactions energy: -133.805
where: short stacking energy: -76.321
Base-Backbone interact. energy: -0.003
local terms energy: -69.731302
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -10.210
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: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -196.986998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.986998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.986998 (E_RNA)
where:
Base-Base interactions energy: -126.873
where: short stacking energy: -52.128
Base-Backbone interact. energy: -0.794
local terms energy: -69.319851
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -182.617609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.617609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.617609 (E_RNA)
where:
Base-Base interactions energy: -116.042
where: short stacking energy: -57.605
Base-Backbone interact. energy: -0.046
local terms energy: -66.529223
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -8.969
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: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -187.218323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.218323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.218323 (E_RNA)
where:
Base-Base interactions energy: -119.250
where: short stacking energy: -60.333
Base-Backbone interact. energy: -0.013
local terms energy: -67.954650
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -118.813244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.813244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.813244 (E_RNA)
where:
Base-Base interactions energy: -62.429
where: short stacking energy: -31.822
Base-Backbone interact. energy: -0.269
local terms energy: -56.115392
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -91.769529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.769529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.769529 (E_RNA)
where:
Base-Base interactions energy: -50.403
where: short stacking energy: -34.060
Base-Backbone interact. energy: -0.334
local terms energy: -41.033046
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: 4.680
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -93.983950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.983950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.983950 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -29.864
Base-Backbone interact. energy: 0.493
local terms energy: -54.860885
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -4.460
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: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -82.378554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.378554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.378554 (E_RNA)
where:
Base-Base interactions energy: -29.266
where: short stacking energy: -25.038
Base-Backbone interact. energy: -0.860
local terms energy: -52.252463
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -220.077909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.077909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.077909 (E_RNA)
where:
Base-Base interactions energy: -153.945
where: short stacking energy: -61.077
Base-Backbone interact. energy: -0.034
local terms energy: -66.099252
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -212.768924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.768924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.768924 (E_RNA)
where:
Base-Base interactions energy: -142.128
where: short stacking energy: -58.239
Base-Backbone interact. energy: -0.010
local terms energy: -70.630489
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -184.799654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.799654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.799654 (E_RNA)
where:
Base-Base interactions energy: -118.567
where: short stacking energy: -62.159
Base-Backbone interact. energy: -0.020
local terms energy: -66.212569
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -190.027098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.027098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.027098 (E_RNA)
where:
Base-Base interactions energy: -123.152
where: short stacking energy: -52.022
Base-Backbone interact. energy: 0.309
local terms energy: -67.183474
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -179.975873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.975873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.975873 (E_RNA)
where:
Base-Base interactions energy: -125.921
where: short stacking energy: -54.353
Base-Backbone interact. energy: -0.105
local terms energy: -53.949728
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -0.087
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -171.717614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.717614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.717614 (E_RNA)
where:
Base-Base interactions energy: -105.477
where: short stacking energy: -48.964
Base-Backbone interact. energy: -0.047
local terms energy: -66.194162
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -101.312159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.312159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.312159 (E_RNA)
where:
Base-Base interactions energy: -48.908
where: short stacking energy: -35.066
Base-Backbone interact. energy: -0.210
local terms energy: -52.194392
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -121.516938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.516938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.516938 (E_RNA)
where:
Base-Base interactions energy: -74.380
where: short stacking energy: -34.392
Base-Backbone interact. energy: -0.066
local terms energy: -47.070889
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -93.884450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.884450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.884450 (E_RNA)
where:
Base-Base interactions energy: -39.811
where: short stacking energy: -18.262
Base-Backbone interact. energy: 1.213
local terms energy: -55.286785
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -99.323674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.323674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.323674 (E_RNA)
where:
Base-Base interactions energy: -43.776
where: short stacking energy: -31.138
Base-Backbone interact. energy: 0.555
local terms energy: -56.102553
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -5.298
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: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -227.259853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.259853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.259853 (E_RNA)
where:
Base-Base interactions energy: -161.018
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.152
local terms energy: -66.089479
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -6.927
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: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -211.648701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.648701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.648701 (E_RNA)
where:
Base-Base interactions energy: -148.944
where: short stacking energy: -50.897
Base-Backbone interact. energy: -0.517
local terms energy: -62.188335
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -8.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -198.240824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.240824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.240824 (E_RNA)
where:
Base-Base interactions energy: -122.601
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.152
local terms energy: -75.488012
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -187.577330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.577330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.577330 (E_RNA)
where:
Base-Base interactions energy: -127.646
where: short stacking energy: -64.047
Base-Backbone interact. energy: -0.069
local terms energy: -59.862307
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -5.172
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: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -180.360320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.360320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.360320 (E_RNA)
where:
Base-Base interactions energy: -117.636
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.053
local terms energy: -62.671403
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -175.526588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.526588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.526588 (E_RNA)
where:
Base-Base interactions energy: -114.343
where: short stacking energy: -55.852
Base-Backbone interact. energy: -0.001
local terms energy: -61.181911
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -113.627227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.627227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.627227 (E_RNA)
where:
Base-Base interactions energy: -54.226
where: short stacking energy: -33.645
Base-Backbone interact. energy: -0.117
local terms energy: -59.284330
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -113.979208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.979208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.979208 (E_RNA)
where:
Base-Base interactions energy: -62.529
where: short stacking energy: -31.728
Base-Backbone interact. energy: -0.753
local terms energy: -50.697934
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -3.779
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: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -80.664723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.664723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.664723 (E_RNA)
where:
Base-Base interactions energy: -29.806
where: short stacking energy: -25.339
Base-Backbone interact. energy: -0.447
local terms energy: -50.411654
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -80.067651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.067651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.067651 (E_RNA)
where:
Base-Base interactions energy: -27.990
where: short stacking energy: -27.990
Base-Backbone interact. energy: -0.120
local terms energy: -51.957556
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -220.401482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.401482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.401482 (E_RNA)
where:
Base-Base interactions energy: -151.039
where: short stacking energy: -54.365
Base-Backbone interact. energy: -0.294
local terms energy: -69.068225
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -230.861963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.861963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.861963 (E_RNA)
where:
Base-Base interactions energy: -158.181
where: short stacking energy: -59.245
Base-Backbone interact. energy: -0.672
local terms energy: -72.009080
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -192.048942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.048942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.048942 (E_RNA)
where:
Base-Base interactions energy: -120.487
where: short stacking energy: -59.909
Base-Backbone interact. energy: 0.328
local terms energy: -71.890457
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -196.677054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.677054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.677054 (E_RNA)
where:
Base-Base interactions energy: -133.110
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.382
local terms energy: -63.184375
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -189.413681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.413681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.413681 (E_RNA)
where:
Base-Base interactions energy: -123.828
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.263
local terms energy: -65.322973
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -15.044
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: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -176.257807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.257807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.257807 (E_RNA)
where:
Base-Base interactions energy: -110.387
where: short stacking energy: -52.306
Base-Backbone interact. energy: -0.015
local terms energy: -65.855510
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -121.306737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.306737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.306737 (E_RNA)
where:
Base-Base interactions energy: -74.919
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.496
local terms energy: -45.891750
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -93.575452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.575452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.575452 (E_RNA)
where:
Base-Base interactions energy: -47.261
where: short stacking energy: -27.721
Base-Backbone interact. energy: -0.273
local terms energy: -46.041676
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -2.314
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -80.600391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.600391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.600391 (E_RNA)
where:
Base-Base interactions energy: -35.513
where: short stacking energy: -35.513
Base-Backbone interact. energy: 0.518
local terms energy: -45.605102
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -87.125691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125691 (E_RNA)
where:
Base-Base interactions energy: -33.565
where: short stacking energy: -26.554
Base-Backbone interact. energy: 2.083
local terms energy: -55.644429
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -224.528681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.528681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.528681 (E_RNA)
where:
Base-Base interactions energy: -157.836
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.118
local terms energy: -66.575067
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -205.632681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.632681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.632681 (E_RNA)
where:
Base-Base interactions energy: -140.746
where: short stacking energy: -61.879
Base-Backbone interact. energy: -1.208
local terms energy: -63.678630
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -8.501
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: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -187.667995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.667995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.667995 (E_RNA)
where:
Base-Base interactions energy: -129.749
where: short stacking energy: -55.162
Base-Backbone interact. energy: -0.156
local terms energy: -57.763106
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -195.143894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.143894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.143894 (E_RNA)
where:
Base-Base interactions energy: -126.761
where: short stacking energy: -54.916
Base-Backbone interact. energy: -0.001
local terms energy: -68.381877
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -7.910
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: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -185.353227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.353227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.353227 (E_RNA)
where:
Base-Base interactions energy: -125.457
where: short stacking energy: -52.362
Base-Backbone interact. energy: -0.503
local terms energy: -59.393887
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -12.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -188.938145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.938145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.938145 (E_RNA)
where:
Base-Base interactions energy: -127.006
where: short stacking energy: -38.373
Base-Backbone interact. energy: -0.354
local terms energy: -61.578400
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -155.504864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.504864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.504864 (E_RNA)
where:
Base-Base interactions energy: -97.681
where: short stacking energy: -52.075
Base-Backbone interact. energy: -0.017
local terms energy: -57.807710
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -92.455675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.455675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.455675 (E_RNA)
where:
Base-Base interactions energy: -40.577
where: short stacking energy: -35.642
Base-Backbone interact. energy: -0.073
local terms energy: -51.806023
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -8.960
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: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -78.522389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.522389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.522389 (E_RNA)
where:
Base-Base interactions energy: -36.050
where: short stacking energy: -21.075
Base-Backbone interact. energy: -0.862
local terms energy: -41.610824
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -1.908
tors. eta vs tors. theta energy: 2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -70.072622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.072622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.072622 (E_RNA)
where:
Base-Base interactions energy: -22.672
where: short stacking energy: -21.449
Base-Backbone interact. energy: -0.651
local terms energy: -46.750316
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -7.612
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -220.788287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.788287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.788287 (E_RNA)
where:
Base-Base interactions energy: -152.052
where: short stacking energy: -58.756
Base-Backbone interact. energy: 0.036
local terms energy: -68.771854
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -218.069248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.069248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.069248 (E_RNA)
where:
Base-Base interactions energy: -147.976
where: short stacking energy: -55.373
Base-Backbone interact. energy: -0.242
local terms energy: -69.851189
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -193.217672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.217672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.217672 (E_RNA)
where:
Base-Base interactions energy: -125.137
where: short stacking energy: -57.289
Base-Backbone interact. energy: -0.016
local terms energy: -68.064930
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -9.500
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: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -193.687190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.687190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.687190 (E_RNA)
where:
Base-Base interactions energy: -129.675
where: short stacking energy: -63.860
Base-Backbone interact. energy: -0.100
local terms energy: -63.912129
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.390
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: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -180.217549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.217549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.217549 (E_RNA)
where:
Base-Base interactions energy: -118.867
where: short stacking energy: -55.157
Base-Backbone interact. energy: 0.197
local terms energy: -61.547403
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -13.916
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: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -185.752751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.752751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.752751 (E_RNA)
where:
Base-Base interactions energy: -122.772
where: short stacking energy: -54.286
Base-Backbone interact. energy: -0.103
local terms energy: -62.877805
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -16.638
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: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -141.261633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.261633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.261633 (E_RNA)
where:
Base-Base interactions energy: -81.452
where: short stacking energy: -46.649
Base-Backbone interact. energy: -0.488
local terms energy: -59.321339
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -91.038520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.038520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.038520 (E_RNA)
where:
Base-Base interactions energy: -41.853
where: short stacking energy: -30.634
Base-Backbone interact. energy: -0.140
local terms energy: -49.045797
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -5.603
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -8.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -78.189438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.189438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.189438 (E_RNA)
where:
Base-Base interactions energy: -40.145
where: short stacking energy: -35.016
Base-Backbone interact. energy: -0.066
local terms energy: -37.978298
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -4.058
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -76.452485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.452485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.452485 (E_RNA)
where:
Base-Base interactions energy: -22.937
where: short stacking energy: -18.254
Base-Backbone interact. energy: -0.194
local terms energy: -53.321557
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -1.497
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: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -222.691503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.691503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.691503 (E_RNA)
where:
Base-Base interactions energy: -163.570
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.271
local terms energy: -58.850507
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -225.095898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.095898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.095898 (E_RNA)
where:
Base-Base interactions energy: -152.488
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.155
local terms energy: -72.453325
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -205.919273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.919273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.919273 (E_RNA)
where:
Base-Base interactions energy: -135.553
where: short stacking energy: -66.502
Base-Backbone interact. energy: -0.005
local terms energy: -70.360600
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -3.368
tors. eta vs tors. theta energy: -18.781
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: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -188.966807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.966807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.966807 (E_RNA)
where:
Base-Base interactions energy: -123.753
where: short stacking energy: -50.061
Base-Backbone interact. energy: -0.015
local terms energy: -65.198133
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -186.773611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.773611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.773611 (E_RNA)
where:
Base-Base interactions energy: -123.564
where: short stacking energy: -63.134
Base-Backbone interact. energy: -0.114
local terms energy: -63.095001
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -192.814221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.814221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.814221 (E_RNA)
where:
Base-Base interactions energy: -121.489
where: short stacking energy: -54.982
Base-Backbone interact. energy: -0.063
local terms energy: -71.262604
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -145.995267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.995267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.995267 (E_RNA)
where:
Base-Base interactions energy: -81.450
where: short stacking energy: -47.882
Base-Backbone interact. energy: -0.183
local terms energy: -64.362323
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -13.424
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: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -113.593469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.593469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.593469 (E_RNA)
where:
Base-Base interactions energy: -65.743
where: short stacking energy: -34.018
Base-Backbone interact. energy: 0.543
local terms energy: -48.393179
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -76.909146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.909146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.909146 (E_RNA)
where:
Base-Base interactions energy: -27.547
where: short stacking energy: -27.547
Base-Backbone interact. energy: -0.067
local terms energy: -49.294811
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -5.409
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -99.039444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.039444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.039444 (E_RNA)
where:
Base-Base interactions energy: -42.859
where: short stacking energy: -40.093
Base-Backbone interact. energy: 1.392
local terms energy: -57.572719
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -232.315484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.315484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.315484 (E_RNA)
where:
Base-Base interactions energy: -165.950
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.137
local terms energy: -66.229146
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -218.686037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.686037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.686037 (E_RNA)
where:
Base-Base interactions energy: -155.342
where: short stacking energy: -59.721
Base-Backbone interact. energy: 1.029
local terms energy: -64.373349
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -5.018
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: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -197.811711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.811711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.811711 (E_RNA)
where:
Base-Base interactions energy: -128.569
where: short stacking energy: -65.650
Base-Backbone interact. energy: -0.162
local terms energy: -69.081203
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -4.374
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: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -190.102587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.102587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.102587 (E_RNA)
where:
Base-Base interactions energy: -123.316
where: short stacking energy: -62.120
Base-Backbone interact. energy: -0.010
local terms energy: -66.776596
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -187.769347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.769347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.769347 (E_RNA)
where:
Base-Base interactions energy: -118.137
where: short stacking energy: -55.785
Base-Backbone interact. energy: -0.463
local terms energy: -69.169517
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -181.820886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.820886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.820886 (E_RNA)
where:
Base-Base interactions energy: -118.628
where: short stacking energy: -56.249
Base-Backbone interact. energy: -0.001
local terms energy: -63.192473
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -7.920
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: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -141.424858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.424858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.424858 (E_RNA)
where:
Base-Base interactions energy: -92.046
where: short stacking energy: -36.463
Base-Backbone interact. energy: -0.217
local terms energy: -49.161768
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -130.161687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.161687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.161687 (E_RNA)
where:
Base-Base interactions energy: -79.209
where: short stacking energy: -39.628
Base-Backbone interact. energy: -0.111
local terms energy: -50.841424
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -79.066447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.066447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.066447 (E_RNA)
where:
Base-Base interactions energy: -31.207
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.069
local terms energy: -47.790392
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -6.345
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: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -68.615069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.615069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.615069 (E_RNA)
where:
Base-Base interactions energy: -16.944
where: short stacking energy: -16.509
Base-Backbone interact. energy: -0.187
local terms energy: -51.484472
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -9.450
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: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -228.634378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.634378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.634378 (E_RNA)
where:
Base-Base interactions energy: -161.257
where: short stacking energy: -61.387
Base-Backbone interact. energy: -0.530
local terms energy: -66.847368
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -16.499
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: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -206.357230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.357230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.357230 (E_RNA)
where:
Base-Base interactions energy: -134.384
where: short stacking energy: -60.454
Base-Backbone interact. energy: -0.017
local terms energy: -71.956240
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -209.045231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.045231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.045231 (E_RNA)
where:
Base-Base interactions energy: -134.671
where: short stacking energy: -63.585
Base-Backbone interact. energy: 0.922
local terms energy: -75.296071
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -200.252435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.252435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.252435 (E_RNA)
where:
Base-Base interactions energy: -142.865
where: short stacking energy: -56.165
Base-Backbone interact. energy: -1.571
local terms energy: -55.816479
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -9.359
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: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -182.783342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.783342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.783342 (E_RNA)
where:
Base-Base interactions energy: -116.800
where: short stacking energy: -54.082
Base-Backbone interact. energy: -0.082
local terms energy: -65.901793
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -144.319180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.319180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.319180 (E_RNA)
where:
Base-Base interactions energy: -77.929
where: short stacking energy: -44.547
Base-Backbone interact. energy: -0.498
local terms energy: -65.892322
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -161.283365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.283365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.283365 (E_RNA)
where:
Base-Base interactions energy: -105.654
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.072
local terms energy: -55.556668
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -10.642
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: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -92.970739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.970739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.970739 (E_RNA)
where:
Base-Base interactions energy: -52.599
where: short stacking energy: -28.370
Base-Backbone interact. energy: -0.415
local terms energy: -39.956719
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -9.826
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -131.368801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.368801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.368801 (E_RNA)
where:
Base-Base interactions energy: -82.315
where: short stacking energy: -41.920
Base-Backbone interact. energy: -0.147
local terms energy: -48.906278
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -89.162365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.162365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.162365 (E_RNA)
where:
Base-Base interactions energy: -52.308
where: short stacking energy: -29.813
Base-Backbone interact. energy: -0.245
local terms energy: -36.609765
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -229.250429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.250429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.250429 (E_RNA)
where:
Base-Base interactions energy: -164.317
where: short stacking energy: -62.898
Base-Backbone interact. energy: -0.539
local terms energy: -64.394243
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -218.751772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.751772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.751772 (E_RNA)
where:
Base-Base interactions energy: -146.040
where: short stacking energy: -67.794
Base-Backbone interact. energy: -0.146
local terms energy: -72.565282
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -6.615
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: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -197.851397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.851397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.851397 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -49.012
Base-Backbone interact. energy: -0.826
local terms energy: -63.892306
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -12.227
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: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -213.573018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.573018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.573018 (E_RNA)
where:
Base-Base interactions energy: -153.591
where: short stacking energy: -55.350
Base-Backbone interact. energy: -0.155
local terms energy: -59.826937
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -7.806
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: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -186.028662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.028662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.028662 (E_RNA)
where:
Base-Base interactions energy: -114.510
where: short stacking energy: -57.696
Base-Backbone interact. energy: -0.003
local terms energy: -71.515142
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -146.455085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.455085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.455085 (E_RNA)
where:
Base-Base interactions energy: -90.064
where: short stacking energy: -44.255
Base-Backbone interact. energy: 2.385
local terms energy: -58.776827
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -7.611
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: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -175.647193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.647193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.647193 (E_RNA)
where:
Base-Base interactions energy: -126.066
where: short stacking energy: -51.776
Base-Backbone interact. energy: -0.042
local terms energy: -49.539715
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -11.057
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: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -88.957723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.957723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.957723 (E_RNA)
where:
Base-Base interactions energy: -48.870
where: short stacking energy: -43.267
Base-Backbone interact. energy: -0.544
local terms energy: -39.544113
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -8.568
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -1.705
tors. eta vs tors. theta energy: -5.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -126.581302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.581302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.581302 (E_RNA)
where:
Base-Base interactions energy: -74.558
where: short stacking energy: -39.306
Base-Backbone interact. energy: -0.034
local terms energy: -51.989170
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -82.044208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.044208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.044208 (E_RNA)
where:
Base-Base interactions energy: -38.097
where: short stacking energy: -30.874
Base-Backbone interact. energy: 0.345
local terms energy: -44.292044
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -5.848
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: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -230.119065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.119065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.119065 (E_RNA)
where:
Base-Base interactions energy: -160.751
where: short stacking energy: -60.173
Base-Backbone interact. energy: -0.136
local terms energy: -69.231976
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -196.376269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.376269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.376269 (E_RNA)
where:
Base-Base interactions energy: -138.212
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.044
local terms energy: -58.120915
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -199.087994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.087994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.087994 (E_RNA)
where:
Base-Base interactions energy: -131.705
where: short stacking energy: -61.108
Base-Backbone interact. energy: -0.001
local terms energy: -67.382562
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -203.205894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.205894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.205894 (E_RNA)
where:
Base-Base interactions energy: -137.843
where: short stacking energy: -51.154
Base-Backbone interact. energy: -0.211
local terms energy: -65.151298
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -190.959514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.959514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.959514 (E_RNA)
where:
Base-Base interactions energy: -126.980
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.033
local terms energy: -63.946746
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -10.364
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: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -146.263752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.263752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.263752 (E_RNA)
where:
Base-Base interactions energy: -91.706
where: short stacking energy: -34.476
Base-Backbone interact. energy: -0.183
local terms energy: -54.375088
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -1.606
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: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -140.035729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.035729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.035729 (E_RNA)
where:
Base-Base interactions energy: -81.855
where: short stacking energy: -52.515
Base-Backbone interact. energy: -0.349
local terms energy: -57.831329
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -115.211690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.211690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.211690 (E_RNA)
where:
Base-Base interactions energy: -69.150
where: short stacking energy: -37.416
Base-Backbone interact. energy: -0.141
local terms energy: -45.920795
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -86.352620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.352620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.352620 (E_RNA)
where:
Base-Base interactions energy: -38.549
where: short stacking energy: -20.546
Base-Backbone interact. energy: -0.218
local terms energy: -47.584848
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -100.045369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.045369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.045369 (E_RNA)
where:
Base-Base interactions energy: -55.825
where: short stacking energy: -30.489
Base-Backbone interact. energy: -0.306
local terms energy: -43.915133
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: 1.606
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: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -223.824850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.824850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.824850 (E_RNA)
where:
Base-Base interactions energy: -156.511
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.376
local terms energy: -66.937671
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -197.695002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.695002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.695002 (E_RNA)
where:
Base-Base interactions energy: -127.566
where: short stacking energy: -59.010
Base-Backbone interact. energy: -0.010
local terms energy: -70.118357
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.000
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: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -194.459123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.459123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.459123 (E_RNA)
where:
Base-Base interactions energy: -123.657
where: short stacking energy: -62.076
Base-Backbone interact. energy: -0.007
local terms energy: -70.795321
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -197.722534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.722534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.722534 (E_RNA)
where:
Base-Base interactions energy: -123.331
where: short stacking energy: -58.228
Base-Backbone interact. energy: 0.117
local terms energy: -74.509027
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -182.811108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.811108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.811108 (E_RNA)
where:
Base-Base interactions energy: -116.665
where: short stacking energy: -52.545
Base-Backbone interact. energy: -0.741
local terms energy: -65.404696
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -152.164357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.164357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.164357 (E_RNA)
where:
Base-Base interactions energy: -100.405
where: short stacking energy: -47.613
Base-Backbone interact. energy: -0.674
local terms energy: -51.085984
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -126.343571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.343571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.343571 (E_RNA)
where:
Base-Base interactions energy: -77.828
where: short stacking energy: -38.138
Base-Backbone interact. energy: -0.140
local terms energy: -48.374824
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -1.679
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: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -98.221954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.221954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.221954 (E_RNA)
where:
Base-Base interactions energy: -44.541
where: short stacking energy: -41.104
Base-Backbone interact. energy: -0.086
local terms energy: -53.594297
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -91.953828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.953828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.953828 (E_RNA)
where:
Base-Base interactions energy: -40.093
where: short stacking energy: -37.137
Base-Backbone interact. energy: -0.375
local terms energy: -51.485181
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -73.980156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.980156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.980156 (E_RNA)
where:
Base-Base interactions energy: -29.196
where: short stacking energy: -19.976
Base-Backbone interact. energy: -0.263
local terms energy: -44.520527
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -234.088105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.088105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.088105 (E_RNA)
where:
Base-Base interactions energy: -166.406
where: short stacking energy: -69.129
Base-Backbone interact. energy: -0.226
local terms energy: -67.456627
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -8.837
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: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -209.191449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.191449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.191449 (E_RNA)
where:
Base-Base interactions energy: -142.652
where: short stacking energy: -63.990
Base-Backbone interact. energy: -0.016
local terms energy: -66.523408
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -19.763
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: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -191.849399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.849399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.849399 (E_RNA)
where:
Base-Base interactions energy: -131.523
where: short stacking energy: -51.637
Base-Backbone interact. energy: -0.041
local terms energy: -60.285809
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -13.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -187.412553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.412553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.412553 (E_RNA)
where:
Base-Base interactions energy: -122.766
where: short stacking energy: -59.487
Base-Backbone interact. energy: 0.267
local terms energy: -64.913457
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -9.199
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: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -192.313956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.313956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.313956 (E_RNA)
where:
Base-Base interactions energy: -124.887
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.058
local terms energy: -67.369250
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -7.532
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: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -127.798265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.798265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.798265 (E_RNA)
where:
Base-Base interactions energy: -70.998
where: short stacking energy: -50.989
Base-Backbone interact. energy: -0.073
local terms energy: -56.726369
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -106.183897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.183897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.183897 (E_RNA)
where:
Base-Base interactions energy: -60.702
where: short stacking energy: -32.450
Base-Backbone interact. energy: -1.182
local terms energy: -44.299539
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -6.561
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -79.720336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.720336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.720336 (E_RNA)
where:
Base-Base interactions energy: -28.325
where: short stacking energy: -22.156
Base-Backbone interact. energy: -1.056
local terms energy: -50.339527
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -80.451683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.451683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.451683 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.218
local terms energy: -45.594484
where:
bonds (distance) C4'-P energy: -7.114
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -82.509814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.509814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.509814 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -33.894
Base-Backbone interact. energy: -0.031
local terms energy: -48.584341
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -209.517149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.517149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.517149 (E_RNA)
where:
Base-Base interactions energy: -142.987
where: short stacking energy: -60.469
Base-Backbone interact. energy: -0.080
local terms energy: -66.450007
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -223.940249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.940249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.940249 (E_RNA)
where:
Base-Base interactions energy: -159.613
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.568
local terms energy: -63.758840
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -13.952
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: 196
Temperature: 1.000000
Total energy: -198.620165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.620165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.620165 (E_RNA)
where:
Base-Base interactions energy: -127.592
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.337
local terms energy: -70.691085
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -190.781803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.781803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.781803 (E_RNA)
where:
Base-Base interactions energy: -123.227
where: short stacking energy: -52.728
Base-Backbone interact. energy: -0.118
local terms energy: -67.437250
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -177.728010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.728010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.728010 (E_RNA)
where:
Base-Base interactions energy: -107.468
where: short stacking energy: -52.539
Base-Backbone interact. energy: -0.056
local terms energy: -70.203582
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -137.711505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.711505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.711505 (E_RNA)
where:
Base-Base interactions energy: -78.157
where: short stacking energy: -42.584
Base-Backbone interact. energy: -0.187
local terms energy: -59.367518
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -6.188
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: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -94.438757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.438757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.438757 (E_RNA)
where:
Base-Base interactions energy: -43.365
where: short stacking energy: -43.316
Base-Backbone interact. energy: 0.119
local terms energy: -51.193224
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -81.788094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.788094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.788094 (E_RNA)
where:
Base-Base interactions energy: -31.434
where: short stacking energy: -30.512
Base-Backbone interact. energy: -1.060
local terms energy: -49.294176
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -83.087252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.087252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.087252 (E_RNA)
where:
Base-Base interactions energy: -33.304
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.242
local terms energy: -49.541361
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -5.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -85.489974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.489974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.489974 (E_RNA)
where:
Base-Base interactions energy: -46.704
where: short stacking energy: -29.829
Base-Backbone interact. energy: -0.319
local terms energy: -38.466545
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: 1.314
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: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -203.332801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.332801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.332801 (E_RNA)
where:
Base-Base interactions energy: -135.317
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.938
local terms energy: -67.077674
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -4.098
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: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -222.566115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.566115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.566115 (E_RNA)
where:
Base-Base interactions energy: -149.014
where: short stacking energy: -66.905
Base-Backbone interact. energy: -0.892
local terms energy: -72.659834
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -19.069
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: 197
Temperature: 1.000000
Total energy: -196.432834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.432834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.432834 (E_RNA)
where:
Base-Base interactions energy: -128.293
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.161
local terms energy: -67.978566
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -8.409
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: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -194.793864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.793864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.793864 (E_RNA)
where:
Base-Base interactions energy: -128.428
where: short stacking energy: -64.702
Base-Backbone interact. energy: -0.153
local terms energy: -66.212461
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -191.612347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.612347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.612347 (E_RNA)
where:
Base-Base interactions energy: -124.086
where: short stacking energy: -55.693
Base-Backbone interact. energy: 0.241
local terms energy: -67.767477
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -18.032
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: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -138.783648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.783648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.783648 (E_RNA)
where:
Base-Base interactions energy: -80.131
where: short stacking energy: -45.461
Base-Backbone interact. energy: -0.167
local terms energy: -58.485050
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -95.344379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.344379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.344379 (E_RNA)
where:
Base-Base interactions energy: -37.717
where: short stacking energy: -34.344
Base-Backbone interact. energy: -0.104
local terms energy: -57.524026
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -7.959
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: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -75.865118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.865118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.865118 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -19.518
Base-Backbone interact. energy: -0.393
local terms energy: -41.565783
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -8.258
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: 1.139
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: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -95.944359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.944359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.944359 (E_RNA)
where:
Base-Base interactions energy: -40.117
where: short stacking energy: -30.480
Base-Backbone interact. energy: -0.051
local terms energy: -55.776454
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -8.164
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: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -80.870311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.870311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.870311 (E_RNA)
where:
Base-Base interactions energy: -25.361
where: short stacking energy: -25.361
Base-Backbone interact. energy: -0.042
local terms energy: -55.467600
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -227.321275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.321275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.321275 (E_RNA)
where:
Base-Base interactions energy: -148.089
where: short stacking energy: -61.480
Base-Backbone interact. energy: -1.092
local terms energy: -78.140247
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -13.290
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: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -206.687901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.687901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.687901 (E_RNA)
where:
Base-Base interactions energy: -149.740
where: short stacking energy: -53.637
Base-Backbone interact. energy: 1.160
local terms energy: -58.107564
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -190.343282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.343282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.343282 (E_RNA)
where:
Base-Base interactions energy: -127.283
where: short stacking energy: -53.112
Base-Backbone interact. energy: -0.526
local terms energy: -62.534731
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -208.916745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.916745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.916745 (E_RNA)
where:
Base-Base interactions energy: -135.409
where: short stacking energy: -73.123
Base-Backbone interact. energy: -0.003
local terms energy: -73.505436
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -22.852
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: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -176.216554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.216554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.216554 (E_RNA)
where:
Base-Base interactions energy: -110.305
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.095
local terms energy: -65.816450
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -138.314222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.314222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.314222 (E_RNA)
where:
Base-Base interactions energy: -82.907
where: short stacking energy: -42.646
Base-Backbone interact. energy: 2.245
local terms energy: -57.652260
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -7.598
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: 198
Temperature: 1.200000
Total energy: -96.102896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.102896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.102896 (E_RNA)
where:
Base-Base interactions energy: -48.592
where: short stacking energy: -43.948
Base-Backbone interact. energy: -0.048
local terms energy: -47.462761
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -5.968
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -8.745
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: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -92.215961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.215961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.215961 (E_RNA)
where:
Base-Base interactions energy: -40.618
where: short stacking energy: -40.282
Base-Backbone interact. energy: -0.175
local terms energy: -51.422765
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -9.347
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: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -81.054579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.054579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.054579 (E_RNA)
where:
Base-Base interactions energy: -32.627
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.939
local terms energy: -47.488725
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -73.626252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.626252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.626252 (E_RNA)
where:
Base-Base interactions energy: -22.434
where: short stacking energy: -22.434
Base-Backbone interact. energy: -0.102
local terms energy: -51.089941
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -2.808
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: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -229.588515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.588515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.588515 (E_RNA)
where:
Base-Base interactions energy: -150.830
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.459
local terms energy: -78.299382
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -199.877534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.877534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.877534 (E_RNA)
where:
Base-Base interactions energy: -134.491
where: short stacking energy: -61.770
Base-Backbone interact. energy: 0.366
local terms energy: -65.751976
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -200.417867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.417867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.417867 (E_RNA)
where:
Base-Base interactions energy: -134.036
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.620
local terms energy: -65.761533
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -14.515
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: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -178.455898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.455898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.455898 (E_RNA)
where:
Base-Base interactions energy: -113.456
where: short stacking energy: -54.816
Base-Backbone interact. energy: -0.143
local terms energy: -64.857013
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -191.195084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.195084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.195084 (E_RNA)
where:
Base-Base interactions energy: -127.396
where: short stacking energy: -60.538
Base-Backbone interact. energy: -0.014
local terms energy: -63.785177
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -6.059
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: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -145.263183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.263183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.263183 (E_RNA)
where:
Base-Base interactions energy: -87.577
where: short stacking energy: -53.739
Base-Backbone interact. energy: -0.052
local terms energy: -57.634270
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -173.449437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.449437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.449437 (E_RNA)
where:
Base-Base interactions energy: -127.664
where: short stacking energy: -52.169
Base-Backbone interact. energy: -0.615
local terms energy: -45.170486
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -7.683
flat angles C4'-P-C4' energy: -6.432
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -8.998
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: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -98.969633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.969633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.969633 (E_RNA)
where:
Base-Base interactions energy: -38.988
where: short stacking energy: -38.988
Base-Backbone interact. energy: -0.140
local terms energy: -59.841750
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -11.140
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: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -86.756736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.756736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.756736 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -30.310
Base-Backbone interact. energy: 1.283
local terms energy: -51.166423
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -3.077
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: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -82.619226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.619226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.619226 (E_RNA)
where:
Base-Base interactions energy: -33.799
where: short stacking energy: -32.838
Base-Backbone interact. energy: -0.136
local terms energy: -48.684134
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -216.654769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.654769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.654769 (E_RNA)
where:
Base-Base interactions energy: -147.710
where: short stacking energy: -60.410
Base-Backbone interact. energy: -0.235
local terms energy: -68.709794
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -219.141648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.141648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.141648 (E_RNA)
where:
Base-Base interactions energy: -150.266
where: short stacking energy: -61.588
Base-Backbone interact. energy: -1.155
local terms energy: -67.721348
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -200.191743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.191743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.191743 (E_RNA)
where:
Base-Base interactions energy: -128.391
where: short stacking energy: -65.623
Base-Backbone interact. energy: -0.684
local terms energy: -71.117336
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -14.300
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: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -193.185240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.185240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.185240 (E_RNA)
where:
Base-Base interactions energy: -132.825
where: short stacking energy: -52.748
Base-Backbone interact. energy: -0.255
local terms energy: -60.105152
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -183.968524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.968524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.968524 (E_RNA)
where:
Base-Base interactions energy: -111.568
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.000
local terms energy: -72.399935
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -153.306786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.306786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.306786 (E_RNA)
where:
Base-Base interactions energy: -92.414
where: short stacking energy: -43.854
Base-Backbone interact. energy: 0.319
local terms energy: -61.211188
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -10.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -204.626569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.626569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.626569 (E_RNA)
where:
Base-Base interactions energy: -133.599
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.001
local terms energy: -71.026324
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -92.966583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.966583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.966583 (E_RNA)
where:
Base-Base interactions energy: -44.413
where: short stacking energy: -28.841
Base-Backbone interact. energy: -0.116
local terms energy: -48.437402
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -4.245
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: 200
Temperature: 1.300000
Total energy: -87.739897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739897 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -36.877
Base-Backbone interact. energy: -0.043
local terms energy: -50.819901
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -77.913732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.913732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.913732 (E_RNA)
where:
Base-Base interactions energy: -35.940
where: short stacking energy: -33.501
Base-Backbone interact. energy: -0.078
local terms energy: -41.895682
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -212.529737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.529737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.529737 (E_RNA)
where:
Base-Base interactions energy: -145.760
where: short stacking energy: -60.538
Base-Backbone interact. energy: 0.611
local terms energy: -67.380261
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -203.684576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.684576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.684576 (E_RNA)
where:
Base-Base interactions energy: -142.301
where: short stacking energy: -54.740
Base-Backbone interact. energy: -0.066
local terms energy: -61.317327
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -214.559048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.559048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.559048 (E_RNA)
where:
Base-Base interactions energy: -151.260
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.253
local terms energy: -63.045516
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -13.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -198.740230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.740230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.740230 (E_RNA)
where:
Base-Base interactions energy: -129.985
where: short stacking energy: -58.452
Base-Backbone interact. energy: -0.106
local terms energy: -68.649699
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -12.751
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: 201
Temperature: 1.100000
Total energy: -167.943378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.943378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.943378 (E_RNA)
where:
Base-Base interactions energy: -106.175
where: short stacking energy: -46.319
Base-Backbone interact. energy: -0.250
local terms energy: -61.518249
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -13.313
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: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -210.577775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.577775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.577775 (E_RNA)
where:
Base-Base interactions energy: -147.069
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.000
local terms energy: -63.508204
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -17.951
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: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -129.291060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.291060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.291060 (E_RNA)
where:
Base-Base interactions energy: -69.644
where: short stacking energy: -37.135
Base-Backbone interact. energy: -0.904
local terms energy: -58.743212
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -6.046
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: 201
Temperature: 1.250000
Total energy: -78.329439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.329439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.329439 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -22.902
Base-Backbone interact. energy: 1.524
local terms energy: -44.364992
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: 2.946
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: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -97.666481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.666481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.666481 (E_RNA)
where:
Base-Base interactions energy: -48.272
where: short stacking energy: -24.533
Base-Backbone interact. energy: -0.299
local terms energy: -49.095462
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -72.581000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.581000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.581000 (E_RNA)
where:
Base-Base interactions energy: -33.114
where: short stacking energy: -25.626
Base-Backbone interact. energy: -0.093
local terms energy: -39.374233
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: 1.039
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: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -215.935186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.935186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.935186 (E_RNA)
where:
Base-Base interactions energy: -148.073
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.275
local terms energy: -67.587357
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -205.773729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.773729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.773729 (E_RNA)
where:
Base-Base interactions energy: -131.166
where: short stacking energy: -66.002
Base-Backbone interact. energy: -0.087
local terms energy: -74.520511
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -9.060
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: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -218.614732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.614732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.614732 (E_RNA)
where:
Base-Base interactions energy: -150.981
where: short stacking energy: -63.592
Base-Backbone interact. energy: -0.269
local terms energy: -67.364809
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -185.164874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.164874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.164874 (E_RNA)
where:
Base-Base interactions energy: -118.904
where: short stacking energy: -56.788
Base-Backbone interact. energy: 1.048
local terms energy: -67.309188
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.354
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: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -208.848096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.848096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.848096 (E_RNA)
where:
Base-Base interactions energy: -140.140
where: short stacking energy: -69.660
Base-Backbone interact. energy: -0.074
local terms energy: -68.633959
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -18.204
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: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -160.857855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.857855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.857855 (E_RNA)
where:
Base-Base interactions energy: -102.034
where: short stacking energy: -45.845
Base-Backbone interact. energy: -0.215
local terms energy: -58.609237
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -133.636276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.636276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.636276 (E_RNA)
where:
Base-Base interactions energy: -74.355
where: short stacking energy: -44.280
Base-Backbone interact. energy: -0.110
local terms energy: -59.171855
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -92.983047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.983047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.983047 (E_RNA)
where:
Base-Base interactions energy: -40.771
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.257
local terms energy: -51.955131
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -7.057
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -88.586937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.586937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.586937 (E_RNA)
where:
Base-Base interactions energy: -46.107
where: short stacking energy: -34.425
Base-Backbone interact. energy: 0.431
local terms energy: -42.911252
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -6.980
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -4.969
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: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -87.203711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.203711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.203711 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -24.186
Base-Backbone interact. energy: -1.196
local terms energy: -52.038321
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -220.408540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.408540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.408540 (E_RNA)
where:
Base-Base interactions energy: -147.057
where: short stacking energy: -65.195
Base-Backbone interact. energy: -0.250
local terms energy: -73.101710
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -223.445883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.445883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.445883 (E_RNA)
where:
Base-Base interactions energy: -150.798
where: short stacking energy: -70.035
Base-Backbone interact. energy: -0.378
local terms energy: -72.269837
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -12.085
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: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -203.105012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.105012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.105012 (E_RNA)
where:
Base-Base interactions energy: -142.634
where: short stacking energy: -69.378
Base-Backbone interact. energy: -0.092
local terms energy: -60.378649
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -8.125
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: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -219.319202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.319202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.319202 (E_RNA)
where:
Base-Base interactions energy: -146.507
where: short stacking energy: -67.101
Base-Backbone interact. energy: 0.183
local terms energy: -72.995782
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.075
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: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -182.762075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.762075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.762075 (E_RNA)
where:
Base-Base interactions energy: -112.713
where: short stacking energy: -58.981
Base-Backbone interact. energy: -0.064
local terms energy: -69.985015
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -14.484
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: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -180.589614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.589614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.589614 (E_RNA)
where:
Base-Base interactions energy: -122.836
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.488
local terms energy: -57.265597
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -13.735
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: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -141.031866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.031866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.031866 (E_RNA)
where:
Base-Base interactions energy: -91.740
where: short stacking energy: -47.989
Base-Backbone interact. energy: -0.037
local terms energy: -49.254760
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -8.467
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: 203
Temperature: 1.250000
Total energy: -104.834562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.834562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.834562 (E_RNA)
where:
Base-Base interactions energy: -51.545
where: short stacking energy: -40.157
Base-Backbone interact. energy: -0.152
local terms energy: -53.138014
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -5.026
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: 203
Temperature: 1.300000
Total energy: -84.831241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831241 (E_RNA)
where:
Base-Base interactions energy: -36.963
where: short stacking energy: -23.807
Base-Backbone interact. energy: -0.378
local terms energy: -47.489970
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -2.778
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: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -75.980181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.980181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.980181 (E_RNA)
where:
Base-Base interactions energy: -29.256
where: short stacking energy: -18.021
Base-Backbone interact. energy: -0.952
local terms energy: -45.773085
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: 2.190
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: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -217.885744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.885744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.885744 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -64.188
Base-Backbone interact. energy: 0.121
local terms energy: -64.540702
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -216.733691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.733691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.733691 (E_RNA)
where:
Base-Base interactions energy: -149.809
where: short stacking energy: -60.996
Base-Backbone interact. energy: -0.497
local terms energy: -66.428311
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -4.511
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: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -208.907949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.907949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.907949 (E_RNA)
where:
Base-Base interactions energy: -143.722
where: short stacking energy: -67.249
Base-Backbone interact. energy: -0.065
local terms energy: -65.120858
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -214.488980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.488980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.488980 (E_RNA)
where:
Base-Base interactions energy: -139.450
where: short stacking energy: -73.003
Base-Backbone interact. energy: -0.009
local terms energy: -75.030228
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -183.660647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.660647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.660647 (E_RNA)
where:
Base-Base interactions energy: -120.373
where: short stacking energy: -61.407
Base-Backbone interact. energy: -0.015
local terms energy: -63.272852
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -191.433935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.433935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.433935 (E_RNA)
where:
Base-Base interactions energy: -133.009
where: short stacking energy: -63.847
Base-Backbone interact. energy: -0.025
local terms energy: -58.400413
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -8.176
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -141.237015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.237015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.237015 (E_RNA)
where:
Base-Base interactions energy: -87.553
where: short stacking energy: -51.500
Base-Backbone interact. energy: -0.152
local terms energy: -53.532414
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -1.006
tors. eta vs tors. theta energy: -12.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -157.200833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.200833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.200833 (E_RNA)
where:
Base-Base interactions energy: -104.299
where: short stacking energy: -37.609
Base-Backbone interact. energy: -0.100
local terms energy: -52.801941
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -79.017727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.017727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.017727 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -27.078
Base-Backbone interact. energy: -0.791
local terms energy: -50.946095
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -78.146919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.146919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.146919 (E_RNA)
where:
Base-Base interactions energy: -26.587
where: short stacking energy: -26.533
Base-Backbone interact. energy: 0.226
local terms energy: -51.786111
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -227.017300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.017300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.017300 (E_RNA)
where:
Base-Base interactions energy: -160.425
where: short stacking energy: -73.569
Base-Backbone interact. energy: 0.416
local terms energy: -67.008869
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -15.017
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: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -206.823009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.823009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.823009 (E_RNA)
where:
Base-Base interactions energy: -130.689
where: short stacking energy: -72.502
Base-Backbone interact. energy: -0.024
local terms energy: -76.110838
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -21.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -207.650262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.650262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.650262 (E_RNA)
where:
Base-Base interactions energy: -141.411
where: short stacking energy: -66.438
Base-Backbone interact. energy: 0.367
local terms energy: -66.606659
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -226.670872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.670872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.670872 (E_RNA)
where:
Base-Base interactions energy: -145.572
where: short stacking energy: -69.223
Base-Backbone interact. energy: 0.056
local terms energy: -81.155452
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -10.633
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: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -194.129466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.129466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.129466 (E_RNA)
where:
Base-Base interactions energy: -128.251
where: short stacking energy: -63.152
Base-Backbone interact. energy: -0.003
local terms energy: -65.875507
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -3.537
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: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -178.248318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.248318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.248318 (E_RNA)
where:
Base-Base interactions energy: -113.692
where: short stacking energy: -58.076
Base-Backbone interact. energy: -0.051
local terms energy: -64.505005
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -161.003111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.003111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.003111 (E_RNA)
where:
Base-Base interactions energy: -95.254
where: short stacking energy: -47.061
Base-Backbone interact. energy: -0.030
local terms energy: -65.719349
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -166.569970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.569970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.569970 (E_RNA)
where:
Base-Base interactions energy: -101.377
where: short stacking energy: -48.944
Base-Backbone interact. energy: 0.558
local terms energy: -65.750601
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -80.937458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.937458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.937458 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -26.633
Base-Backbone interact. energy: -0.161
local terms energy: -45.423350
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -77.057644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.057644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.057644 (E_RNA)
where:
Base-Base interactions energy: -41.069
where: short stacking energy: -16.992
Base-Backbone interact. energy: 0.246
local terms energy: -36.234628
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: 0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -217.141233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.141233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.141233 (E_RNA)
where:
Base-Base interactions energy: -144.998
where: short stacking energy: -67.545
Base-Backbone interact. energy: -0.023
local terms energy: -72.120252
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -226.331645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.331645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.331645 (E_RNA)
where:
Base-Base interactions energy: -159.219
where: short stacking energy: -69.144
Base-Backbone interact. energy: -0.669
local terms energy: -66.443479
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -16.153
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: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -225.980526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.980526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.980526 (E_RNA)
where:
Base-Base interactions energy: -156.848
where: short stacking energy: -73.860
Base-Backbone interact. energy: 0.089
local terms energy: -69.221366
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -195.072615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.072615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.072615 (E_RNA)
where:
Base-Base interactions energy: -127.304
where: short stacking energy: -53.740
Base-Backbone interact. energy: -1.629
local terms energy: -66.139090
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -190.411035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.411035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.411035 (E_RNA)
where:
Base-Base interactions energy: -118.256
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.161
local terms energy: -71.993629
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -10.524
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: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -189.921882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.921882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.921882 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -51.878
Base-Backbone interact. energy: -0.042
local terms energy: -60.803095
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -10.524
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: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -177.087137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.087137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.087137 (E_RNA)
where:
Base-Base interactions energy: -112.027
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.099
local terms energy: -64.961249
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -7.705
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: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -137.271548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.271548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.271548 (E_RNA)
where:
Base-Base interactions energy: -89.718
where: short stacking energy: -42.981
Base-Backbone interact. energy: -0.311
local terms energy: -47.242030
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -94.000307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.000307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.000307 (E_RNA)
where:
Base-Base interactions energy: -34.678
where: short stacking energy: -18.739
Base-Backbone interact. energy: -0.824
local terms energy: -58.497738
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -81.830745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.830745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.830745 (E_RNA)
where:
Base-Base interactions energy: -39.310
where: short stacking energy: -21.131
Base-Backbone interact. energy: 0.529
local terms energy: -43.049561
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -214.565589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.565589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.565589 (E_RNA)
where:
Base-Base interactions energy: -142.353
where: short stacking energy: -66.385
Base-Backbone interact. energy: -0.310
local terms energy: -71.901870
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -229.642429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.642429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.642429 (E_RNA)
where:
Base-Base interactions energy: -155.376
where: short stacking energy: -75.505
Base-Backbone interact. energy: -0.531
local terms energy: -73.735325
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -10.508
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: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -222.766731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.766731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.766731 (E_RNA)
where:
Base-Base interactions energy: -159.355
where: short stacking energy: -60.711
Base-Backbone interact. energy: -0.273
local terms energy: -63.138842
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -191.461885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.461885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.461885 (E_RNA)
where:
Base-Base interactions energy: -126.319
where: short stacking energy: -56.361
Base-Backbone interact. energy: -1.116
local terms energy: -64.025972
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -185.545370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.545370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.545370 (E_RNA)
where:
Base-Base interactions energy: -117.686
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.057
local terms energy: -67.802488
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -179.655928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.655928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.655928 (E_RNA)
where:
Base-Base interactions energy: -120.482
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.072
local terms energy: -59.101569
where:
bonds (distance) C4'-P energy: -6.824
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -14.445
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: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -156.786041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.786041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.786041 (E_RNA)
where:
Base-Base interactions energy: -91.453
where: short stacking energy: -46.892
Base-Backbone interact. energy: 0.117
local terms energy: -65.450475
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -85.104096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.104096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.104096 (E_RNA)
where:
Base-Base interactions energy: -34.550
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.184
local terms energy: -50.369816
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -83.316817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.316817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.316817 (E_RNA)
where:
Base-Base interactions energy: -39.183
where: short stacking energy: -37.606
Base-Backbone interact. energy: 0.895
local terms energy: -45.029169
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -4.991
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: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -81.805106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.805106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.805106 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -21.843
Base-Backbone interact. energy: -0.274
local terms energy: -41.910972
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -7.373
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: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -229.161396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.161396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.161396 (E_RNA)
where:
Base-Base interactions energy: -151.740
where: short stacking energy: -72.846
Base-Backbone interact. energy: -0.057
local terms energy: -77.364023
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -21.483
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: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -212.881864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.881864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.881864 (E_RNA)
where:
Base-Base interactions energy: -133.816
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.028
local terms energy: -79.038358
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -18.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -216.144241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.144241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.144241 (E_RNA)
where:
Base-Base interactions energy: -162.470
where: short stacking energy: -55.030
Base-Backbone interact. energy: -1.326
local terms energy: -52.348092
where:
bonds (distance) C4'-P energy: -8.569
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -8.560
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: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -187.261090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.261090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.261090 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -47.097
Base-Backbone interact. energy: -0.230
local terms energy: -64.494998
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -185.506757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.506757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.506757 (E_RNA)
where:
Base-Base interactions energy: -113.454
where: short stacking energy: -56.407
Base-Backbone interact. energy: -1.004
local terms energy: -71.048336
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -185.337220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.337220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.337220 (E_RNA)
where:
Base-Base interactions energy: -122.200
where: short stacking energy: -48.182
Base-Backbone interact. energy: 0.091
local terms energy: -63.227779
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -184.274189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.274189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.274189 (E_RNA)
where:
Base-Base interactions energy: -122.920
where: short stacking energy: -60.848
Base-Backbone interact. energy: -0.100
local terms energy: -61.254921
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -88.503263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.503263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.503263 (E_RNA)
where:
Base-Base interactions energy: -40.753
where: short stacking energy: -27.633
Base-Backbone interact. energy: -0.075
local terms energy: -47.675530
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -7.542
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -74.408857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.408857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.408857 (E_RNA)
where:
Base-Base interactions energy: -25.390
where: short stacking energy: -10.708
Base-Backbone interact. energy: 0.193
local terms energy: -49.212358
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -76.051268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.051268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.051268 (E_RNA)
where:
Base-Base interactions energy: -29.616
where: short stacking energy: -29.616
Base-Backbone interact. energy: -0.086
local terms energy: -46.349894
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: 1.459
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: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -232.128744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.128744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.128744 (E_RNA)
where:
Base-Base interactions energy: -150.541
where: short stacking energy: -75.172
Base-Backbone interact. energy: -0.165
local terms energy: -81.423049
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -22.612
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: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -228.848697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.848697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.848697 (E_RNA)
where:
Base-Base interactions energy: -160.171
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.393
local terms energy: -68.284868
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -11.950
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: 209
Temperature: 1.000000
Total energy: -196.369202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.369202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.369202 (E_RNA)
where:
Base-Base interactions energy: -131.445
where: short stacking energy: -56.488
Base-Backbone interact. energy: -1.477
local terms energy: -63.446530
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -187.381362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.381362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.381362 (E_RNA)
where:
Base-Base interactions energy: -121.022
where: short stacking energy: -49.389
Base-Backbone interact. energy: -0.135
local terms energy: -66.224111
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -186.579836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.579836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.579836 (E_RNA)
where:
Base-Base interactions energy: -128.467
where: short stacking energy: -66.669
Base-Backbone interact. energy: -0.242
local terms energy: -57.870449
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -2.317
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: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -194.608113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.608113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.608113 (E_RNA)
where:
Base-Base interactions energy: -123.824
where: short stacking energy: -61.271
Base-Backbone interact. energy: -0.036
local terms energy: -70.748248
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -180.138823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.138823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.138823 (E_RNA)
where:
Base-Base interactions energy: -113.981
where: short stacking energy: -53.513
Base-Backbone interact. energy: -0.057
local terms energy: -66.100584
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -4.475
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: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -84.405190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.405190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.405190 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -29.837
Base-Backbone interact. energy: -0.356
local terms energy: -54.401125
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -6.450
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: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -86.325176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.325176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.325176 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -43.976
Base-Backbone interact. energy: -0.019
local terms energy: -42.330007
where:
bonds (distance) C4'-P energy: -5.621
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -105.995514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.995514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.995514 (E_RNA)
where:
Base-Base interactions energy: -60.243
where: short stacking energy: -27.181
Base-Backbone interact. energy: 0.081
local terms energy: -45.833954
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -9.542
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: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -232.368304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.368304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.368304 (E_RNA)
where:
Base-Base interactions energy: -150.822
where: short stacking energy: -69.812
Base-Backbone interact. energy: -0.036
local terms energy: -81.509887
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -23.419
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: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -230.237956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.237956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.237956 (E_RNA)
where:
Base-Base interactions energy: -167.317
where: short stacking energy: -68.790
Base-Backbone interact. energy: -1.390
local terms energy: -61.531208
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -188.147725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.147725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.147725 (E_RNA)
where:
Base-Base interactions energy: -116.829
where: short stacking energy: -56.225
Base-Backbone interact. energy: -0.127
local terms energy: -71.191968
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -175.616416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.616416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.616416 (E_RNA)
where:
Base-Base interactions energy: -115.620
where: short stacking energy: -58.763
Base-Backbone interact. energy: -0.406
local terms energy: -59.590276
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -5.368
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: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -181.958473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.958473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.958473 (E_RNA)
where:
Base-Base interactions energy: -120.215
where: short stacking energy: -54.094
Base-Backbone interact. energy: -0.647
local terms energy: -61.096800
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -166.828879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.828879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.828879 (E_RNA)
where:
Base-Base interactions energy: -110.239
where: short stacking energy: -46.763
Base-Backbone interact. energy: -0.039
local terms energy: -56.551543
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -11.355
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: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -165.346606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.346606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.346606 (E_RNA)
where:
Base-Base interactions energy: -102.175
where: short stacking energy: -46.790
Base-Backbone interact. energy: -0.097
local terms energy: -63.074910
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -92.675005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.675005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.675005 (E_RNA)
where:
Base-Base interactions energy: -39.392
where: short stacking energy: -38.106
Base-Backbone interact. energy: -0.140
local terms energy: -53.142951
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -91.637367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.637367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.637367 (E_RNA)
where:
Base-Base interactions energy: -42.040
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.163
local terms energy: -49.434478
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -78.438213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.438213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.438213 (E_RNA)
where:
Base-Base interactions energy: -26.006
where: short stacking energy: -26.006
Base-Backbone interact. energy: -0.006
local terms energy: -52.425949
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -228.219710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.219710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.219710 (E_RNA)
where:
Base-Base interactions energy: -152.818
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.505
local terms energy: -74.897480
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -222.770077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.770077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.770077 (E_RNA)
where:
Base-Base interactions energy: -158.989
where: short stacking energy: -63.209
Base-Backbone interact. energy: -0.353
local terms energy: -63.427433
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -10.559
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: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -190.663855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.663855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.663855 (E_RNA)
where:
Base-Base interactions energy: -128.836
where: short stacking energy: -65.922
Base-Backbone interact. energy: -0.106
local terms energy: -61.721855
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -6.602
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: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -188.873619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.873619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.873619 (E_RNA)
where:
Base-Base interactions energy: -123.020
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.001
local terms energy: -65.852479
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -192.802974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.802974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.802974 (E_RNA)
where:
Base-Base interactions energy: -129.946
where: short stacking energy: -51.190
Base-Backbone interact. energy: -0.361
local terms energy: -62.496411
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -14.154
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: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -175.619325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.619325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.619325 (E_RNA)
where:
Base-Base interactions energy: -114.262
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.175
local terms energy: -61.181791
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -13.560
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: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -169.769977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.769977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.769977 (E_RNA)
where:
Base-Base interactions energy: -112.306
where: short stacking energy: -52.404
Base-Backbone interact. energy: -0.010
local terms energy: -57.453388
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -1.929
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: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -101.190871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.190871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.190871 (E_RNA)
where:
Base-Base interactions energy: -58.962
where: short stacking energy: -28.597
Base-Backbone interact. energy: 0.156
local terms energy: -42.384609
where:
bonds (distance) C4'-P energy: -7.911
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -81.387285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.387285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.387285 (E_RNA)
where:
Base-Base interactions energy: -30.564
where: short stacking energy: -30.542
Base-Backbone interact. energy: 0.892
local terms energy: -51.715302
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -4.635
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: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -83.321312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.321312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.321312 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -31.886
Base-Backbone interact. energy: -0.071
local terms energy: -50.572437
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -9.457
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: 212
Temperature: 0.900000
Total energy: -229.479319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.479319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.479319 (E_RNA)
where:
Base-Base interactions energy: -161.318
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.022
local terms energy: -68.139316
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -10.655
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: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -231.938113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.938113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.938113 (E_RNA)
where:
Base-Base interactions energy: -154.705
where: short stacking energy: -76.409
Base-Backbone interact. energy: -0.000
local terms energy: -77.232631
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -194.325399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.325399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.325399 (E_RNA)
where:
Base-Base interactions energy: -125.024
where: short stacking energy: -62.808
Base-Backbone interact. energy: -0.052
local terms energy: -69.249614
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -188.151926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.151926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.151926 (E_RNA)
where:
Base-Base interactions energy: -125.001
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.013
local terms energy: -63.138039
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -194.376055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.376055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.376055 (E_RNA)
where:
Base-Base interactions energy: -127.233
where: short stacking energy: -49.489
Base-Backbone interact. energy: -0.012
local terms energy: -67.130879
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -11.560
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: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -180.770797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.770797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.770797 (E_RNA)
where:
Base-Base interactions energy: -114.147
where: short stacking energy: -57.015
Base-Backbone interact. energy: -0.051
local terms energy: -66.572700
where:
bonds (distance) C4'-P energy: -8.885
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -14.021
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: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -92.342323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.342323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.342323 (E_RNA)
where:
Base-Base interactions energy: -40.994
where: short stacking energy: -33.823
Base-Backbone interact. energy: 1.606
local terms energy: -52.955303
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -4.927
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: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -172.913621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.913621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.913621 (E_RNA)
where:
Base-Base interactions energy: -119.271
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.087
local terms energy: -53.555785
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -7.921
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -75.588652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.588652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.588652 (E_RNA)
where:
Base-Base interactions energy: -21.436
where: short stacking energy: -21.436
Base-Backbone interact. energy: -0.092
local terms energy: -54.060553
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -80.455261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.455261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.455261 (E_RNA)
where:
Base-Base interactions energy: -29.538
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.503
local terms energy: -50.414441
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -229.461709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.461709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.461709 (E_RNA)
where:
Base-Base interactions energy: -158.970
where: short stacking energy: -67.947
Base-Backbone interact. energy: -0.166
local terms energy: -70.326139
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -217.708718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.708718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.708718 (E_RNA)
where:
Base-Base interactions energy: -139.857
where: short stacking energy: -65.703
Base-Backbone interact. energy: -0.937
local terms energy: -76.914771
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -6.772
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: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -191.862736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.862736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.862736 (E_RNA)
where:
Base-Base interactions energy: -120.347
where: short stacking energy: -56.126
Base-Backbone interact. energy: 0.069
local terms energy: -71.584804
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -12.972
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: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -197.278156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.278156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.278156 (E_RNA)
where:
Base-Base interactions energy: -126.723
where: short stacking energy: -54.638
Base-Backbone interact. energy: -0.002
local terms energy: -70.553340
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -16.782
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: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -174.454538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.454538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.454538 (E_RNA)
where:
Base-Base interactions energy: -112.389
where: short stacking energy: -53.052
Base-Backbone interact. energy: -0.224
local terms energy: -61.842014
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -178.277053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.277053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.277053 (E_RNA)
where:
Base-Base interactions energy: -119.017
where: short stacking energy: -59.214
Base-Backbone interact. energy: 0.709
local terms energy: -59.969119
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -8.809
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: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -102.917344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.917344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.917344 (E_RNA)
where:
Base-Base interactions energy: -45.324
where: short stacking energy: -45.324
Base-Backbone interact. energy: -0.000
local terms energy: -57.593386
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -11.044
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: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -167.864336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.864336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.864336 (E_RNA)
where:
Base-Base interactions energy: -111.309
where: short stacking energy: -52.590
Base-Backbone interact. energy: -0.136
local terms energy: -56.419858
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -84.268676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.268676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.268676 (E_RNA)
where:
Base-Base interactions energy: -44.874
where: short stacking energy: -28.631
Base-Backbone interact. energy: -0.057
local terms energy: -39.337277
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: 0.588
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: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -71.468231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.468231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.468231 (E_RNA)
where:
Base-Base interactions energy: -19.545
where: short stacking energy: -17.130
Base-Backbone interact. energy: -2.092
local terms energy: -49.831101
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -222.090323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.090323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.090323 (E_RNA)
where:
Base-Base interactions energy: -139.961
where: short stacking energy: -74.086
Base-Backbone interact. energy: -0.445
local terms energy: -81.684782
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -224.232471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.232471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.232471 (E_RNA)
where:
Base-Base interactions energy: -153.311
where: short stacking energy: -62.943
Base-Backbone interact. energy: -0.424
local terms energy: -70.496826
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -12.230
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: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -200.082482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.082482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.082482 (E_RNA)
where:
Base-Base interactions energy: -129.746
where: short stacking energy: -68.417
Base-Backbone interact. energy: -0.003
local terms energy: -70.333531
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -5.177
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: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -187.345354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.345354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.345354 (E_RNA)
where:
Base-Base interactions energy: -128.589
where: short stacking energy: -50.406
Base-Backbone interact. energy: 0.381
local terms energy: -59.137447
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -182.485179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.485179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.485179 (E_RNA)
where:
Base-Base interactions energy: -117.561
where: short stacking energy: -56.268
Base-Backbone interact. energy: -0.028
local terms energy: -64.896163
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -14.647
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: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -184.610248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.610248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.610248 (E_RNA)
where:
Base-Base interactions energy: -122.069
where: short stacking energy: -47.115
Base-Backbone interact. energy: -0.261
local terms energy: -62.280129
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -12.056
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: 214
Temperature: 1.200000
Total energy: -172.978782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.978782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.978782 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -45.604
Base-Backbone interact. energy: -0.111
local terms energy: -58.447904
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -11.314
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: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -86.883909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.883909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.883909 (E_RNA)
where:
Base-Base interactions energy: -41.209
where: short stacking energy: -39.065
Base-Backbone interact. energy: -0.159
local terms energy: -45.515983
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -81.333774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.333774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.333774 (E_RNA)
where:
Base-Base interactions energy: -27.155
where: short stacking energy: -25.838
Base-Backbone interact. energy: -0.233
local terms energy: -53.945136
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -82.386696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.386696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.386696 (E_RNA)
where:
Base-Base interactions energy: -41.947
where: short stacking energy: -21.075
Base-Backbone interact. energy: 0.308
local terms energy: -40.747718
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: 2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -238.924522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.924522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.924522 (E_RNA)
where:
Base-Base interactions energy: -157.259
where: short stacking energy: -75.430
Base-Backbone interact. energy: -0.012
local terms energy: -81.653624
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -8.434
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: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -226.440748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.440748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.440748 (E_RNA)
where:
Base-Base interactions energy: -161.342
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.263
local terms energy: -64.834887
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -186.207141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.207141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.207141 (E_RNA)
where:
Base-Base interactions energy: -122.439
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.062
local terms energy: -63.706338
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -181.304517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.304517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.304517 (E_RNA)
where:
Base-Base interactions energy: -115.638
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.028
local terms energy: -65.638413
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -200.988951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.988951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.988951 (E_RNA)
where:
Base-Base interactions energy: -135.935
where: short stacking energy: -60.268
Base-Backbone interact. energy: -0.011
local terms energy: -65.043658
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -177.850797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.850797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.850797 (E_RNA)
where:
Base-Base interactions energy: -116.992
where: short stacking energy: -54.470
Base-Backbone interact. energy: -0.129
local terms energy: -60.730168
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -168.969564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.969564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.969564 (E_RNA)
where:
Base-Base interactions energy: -109.323
where: short stacking energy: -50.639
Base-Backbone interact. energy: 0.504
local terms energy: -60.150868
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -11.159
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: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -95.122881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.122881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.122881 (E_RNA)
where:
Base-Base interactions energy: -38.221
where: short stacking energy: -37.146
Base-Backbone interact. energy: 0.573
local terms energy: -57.474921
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -101.789122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.789122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.789122 (E_RNA)
where:
Base-Base interactions energy: -49.837
where: short stacking energy: -41.974
Base-Backbone interact. energy: -0.004
local terms energy: -51.948125
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -2.523
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -89.154721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154721 (E_RNA)
where:
Base-Base interactions energy: -39.258
where: short stacking energy: -34.779
Base-Backbone interact. energy: 0.254
local terms energy: -50.151350
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -4.349
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: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -228.727436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.727436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.727436 (E_RNA)
where:
Base-Base interactions energy: -156.282
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.519
local terms energy: -71.926438
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -16.505
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: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -224.346611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.346611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.346611 (E_RNA)
where:
Base-Base interactions energy: -148.318
where: short stacking energy: -73.953
Base-Backbone interact. energy: -0.189
local terms energy: -75.838887
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -190.006959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.006959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.006959 (E_RNA)
where:
Base-Base interactions energy: -126.910
where: short stacking energy: -53.360
Base-Backbone interact. energy: -0.123
local terms energy: -62.974096
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.747
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: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -191.581855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.581855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.581855 (E_RNA)
where:
Base-Base interactions energy: -120.174
where: short stacking energy: -51.317
Base-Backbone interact. energy: 0.545
local terms energy: -71.952656
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -188.239557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.239557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.239557 (E_RNA)
where:
Base-Base interactions energy: -123.583
where: short stacking energy: -59.093
Base-Backbone interact. energy: -0.409
local terms energy: -64.247650
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -185.731993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.731993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.731993 (E_RNA)
where:
Base-Base interactions energy: -118.030
where: short stacking energy: -51.744
Base-Backbone interact. energy: -0.015
local terms energy: -67.686912
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -175.326770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.326770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.326770 (E_RNA)
where:
Base-Base interactions energy: -104.325
where: short stacking energy: -48.760
Base-Backbone interact. energy: -0.086
local terms energy: -70.916417
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -9.040
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: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -85.042228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.042228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.042228 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -40.161
Base-Backbone interact. energy: -0.177
local terms energy: -44.083946
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -88.307878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.307878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.307878 (E_RNA)
where:
Base-Base interactions energy: -47.027
where: short stacking energy: -26.953
Base-Backbone interact. energy: 0.506
local terms energy: -41.786297
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -77.106749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.106749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.106749 (E_RNA)
where:
Base-Base interactions energy: -23.396
where: short stacking energy: -21.262
Base-Backbone interact. energy: -0.054
local terms energy: -53.657036
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -2.027
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: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -221.960747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.960747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.960747 (E_RNA)
where:
Base-Base interactions energy: -151.202
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.039
local terms energy: -70.719364
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -12.811
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: 217
Temperature: 0.950000
Total energy: -221.119010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.119010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.119010 (E_RNA)
where:
Base-Base interactions energy: -141.303
where: short stacking energy: -73.443
Base-Backbone interact. energy: -0.005
local terms energy: -79.810785
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -24.207
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: 217
Temperature: 1.000000
Total energy: -187.960437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.960437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.960437 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.002
local terms energy: -63.347932
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -194.171331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.171331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.171331 (E_RNA)
where:
Base-Base interactions energy: -130.418
where: short stacking energy: -55.145
Base-Backbone interact. energy: -0.102
local terms energy: -63.651493
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -178.607901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.607901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.607901 (E_RNA)
where:
Base-Base interactions energy: -116.269
where: short stacking energy: -50.500
Base-Backbone interact. energy: -0.091
local terms energy: -62.247210
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -188.586705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.586705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.586705 (E_RNA)
where:
Base-Base interactions energy: -120.854
where: short stacking energy: -58.040
Base-Backbone interact. energy: -0.430
local terms energy: -67.302741
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -14.216
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: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -176.847930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.847930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.847930 (E_RNA)
where:
Base-Base interactions energy: -122.583
where: short stacking energy: -51.134
Base-Backbone interact. energy: -0.243
local terms energy: -54.022315
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -87.414900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.414900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.414900 (E_RNA)
where:
Base-Base interactions energy: -34.626
where: short stacking energy: -32.482
Base-Backbone interact. energy: 0.284
local terms energy: -53.072512
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -8.832
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: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -75.090610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.090610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.090610 (E_RNA)
where:
Base-Base interactions energy: -24.407
where: short stacking energy: -19.015
Base-Backbone interact. energy: -0.278
local terms energy: -50.405221
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -69.967095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.967095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.967095 (E_RNA)
where:
Base-Base interactions energy: -25.136
where: short stacking energy: -21.263
Base-Backbone interact. energy: 0.742
local terms energy: -45.573033
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: 1.003
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: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -222.662892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.662892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.662892 (E_RNA)
where:
Base-Base interactions energy: -154.270
where: short stacking energy: -62.502
Base-Backbone interact. energy: 0.470
local terms energy: -68.863465
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -11.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -223.245380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.245380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.245380 (E_RNA)
where:
Base-Base interactions energy: -143.436
where: short stacking energy: -73.011
Base-Backbone interact. energy: -0.559
local terms energy: -79.249888
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -11.083
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: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -193.841846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.841846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.841846 (E_RNA)
where:
Base-Base interactions energy: -122.272
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.020
local terms energy: -71.549943
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -17.762
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: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -189.008131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.008131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.008131 (E_RNA)
where:
Base-Base interactions energy: -120.566
where: short stacking energy: -57.532
Base-Backbone interact. energy: -0.017
local terms energy: -68.425143
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -171.961690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.961690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.961690 (E_RNA)
where:
Base-Base interactions energy: -104.727
where: short stacking energy: -40.288
Base-Backbone interact. energy: -0.101
local terms energy: -67.133783
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -8.538
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: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -176.180167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.180167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.180167 (E_RNA)
where:
Base-Base interactions energy: -115.398
where: short stacking energy: -53.321
Base-Backbone interact. energy: -0.077
local terms energy: -60.704964
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -11.956
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: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -95.243511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.243511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.243511 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -39.719
Base-Backbone interact. energy: -0.431
local terms energy: -54.525111
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -167.136136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.136136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.136136 (E_RNA)
where:
Base-Base interactions energy: -105.857
where: short stacking energy: -54.356
Base-Backbone interact. energy: -0.125
local terms energy: -61.154138
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -15.209
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: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -82.652709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.652709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.652709 (E_RNA)
where:
Base-Base interactions energy: -35.725
where: short stacking energy: -30.224
Base-Backbone interact. energy: -0.505
local terms energy: -46.422766
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -80.404124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.404124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.404124 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -22.010
Base-Backbone interact. energy: -0.004
local terms energy: -52.154156
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -8.926
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -5.052
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: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -234.825184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.825184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.825184 (E_RNA)
where:
Base-Base interactions energy: -163.524
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.619
local terms energy: -70.682428
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -192.240273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.240273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.240273 (E_RNA)
where:
Base-Base interactions energy: -125.525
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.165
local terms energy: -66.550182
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -12.339
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: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -197.302510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.302510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.302510 (E_RNA)
where:
Base-Base interactions energy: -136.670
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.207
local terms energy: -60.426098
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -13.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -189.460359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.460359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.460359 (E_RNA)
where:
Base-Base interactions energy: -121.152
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.075
local terms energy: -68.232863
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -16.444
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: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -192.883827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.883827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.883827 (E_RNA)
where:
Base-Base interactions energy: -128.805
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.001
local terms energy: -64.078110
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -13.940
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: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -178.252033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.252033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.252033 (E_RNA)
where:
Base-Base interactions energy: -121.467
where: short stacking energy: -51.217
Base-Backbone interact. energy: -1.624
local terms energy: -55.160799
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -90.165812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.165812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.165812 (E_RNA)
where:
Base-Base interactions energy: -32.531
where: short stacking energy: -32.531
Base-Backbone interact. energy: -0.034
local terms energy: -57.600557
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -10.951
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: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -166.113931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113931 (E_RNA)
where:
Base-Base interactions energy: -99.982
where: short stacking energy: -43.563
Base-Backbone interact. energy: -0.854
local terms energy: -65.278474
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -12.996
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: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -95.107847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.107847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.107847 (E_RNA)
where:
Base-Base interactions energy: -53.299
where: short stacking energy: -27.985
Base-Backbone interact. energy: -0.113
local terms energy: -41.695624
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: 2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -76.672398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.672398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.672398 (E_RNA)
where:
Base-Base interactions energy: -27.130
where: short stacking energy: -27.130
Base-Backbone interact. energy: -0.179
local terms energy: -49.363779
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -202.574555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.574555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.574555 (E_RNA)
where:
Base-Base interactions energy: -130.245
where: short stacking energy: -64.604
Base-Backbone interact. energy: -0.691
local terms energy: -71.638078
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -226.649440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.649440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.649440 (E_RNA)
where:
Base-Base interactions energy: -158.401
where: short stacking energy: -75.051
Base-Backbone interact. energy: -0.354
local terms energy: -67.894630
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -10.659
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: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -192.152303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.152303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.152303 (E_RNA)
where:
Base-Base interactions energy: -131.458
where: short stacking energy: -62.426
Base-Backbone interact. energy: 0.682
local terms energy: -61.376182
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -7.824
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: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -204.845378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.845378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.845378 (E_RNA)
where:
Base-Base interactions energy: -128.333
where: short stacking energy: -69.164
Base-Backbone interact. energy: -1.327
local terms energy: -75.185465
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -20.415
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: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -179.498958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.498958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.498958 (E_RNA)
where:
Base-Base interactions energy: -115.877
where: short stacking energy: -50.345
Base-Backbone interact. energy: -0.028
local terms energy: -63.594090
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -178.204133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.204133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.204133 (E_RNA)
where:
Base-Base interactions energy: -125.300
where: short stacking energy: -57.292
Base-Backbone interact. energy: 0.279
local terms energy: -53.183567
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -8.968
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -11.501
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: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -192.512819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.512819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.512819 (E_RNA)
where:
Base-Base interactions energy: -132.680
where: short stacking energy: -50.860
Base-Backbone interact. energy: -0.299
local terms energy: -59.533464
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -97.260328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.260328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.260328 (E_RNA)
where:
Base-Base interactions energy: -40.194
where: short stacking energy: -35.212
Base-Backbone interact. energy: -1.386
local terms energy: -55.680998
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -7.973
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: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -85.685320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.685320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.685320 (E_RNA)
where:
Base-Base interactions energy: -41.215
where: short stacking energy: -29.546
Base-Backbone interact. energy: -0.285
local terms energy: -44.184918
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: 0.231
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: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -77.267404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.267404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.267404 (E_RNA)
where:
Base-Base interactions energy: -37.970
where: short stacking energy: -21.348
Base-Backbone interact. energy: 0.186
local terms energy: -39.483351
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -6.620
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: 1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -209.978732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.978732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.978732 (E_RNA)
where:
Base-Base interactions energy: -137.795
where: short stacking energy: -66.614
Base-Backbone interact. energy: -0.117
local terms energy: -72.066661
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -8.589
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: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -224.761661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.761661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.761661 (E_RNA)
where:
Base-Base interactions energy: -152.051
where: short stacking energy: -68.958
Base-Backbone interact. energy: 0.052
local terms energy: -72.762611
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -192.247091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.247091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.247091 (E_RNA)
where:
Base-Base interactions energy: -130.873
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.003
local terms energy: -61.371090
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -8.586
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: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -184.622181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.622181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.622181 (E_RNA)
where:
Base-Base interactions energy: -114.260
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.046
local terms energy: -70.316401
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -7.902
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: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -203.090959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.090959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.090959 (E_RNA)
where:
Base-Base interactions energy: -134.134
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.454
local terms energy: -68.503010
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -17.065
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: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -201.067426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.067426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.067426 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -54.861
Base-Backbone interact. energy: -0.304
local terms energy: -61.617331
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -15.360
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: 221
Temperature: 1.200000
Total energy: -169.419187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.419187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.419187 (E_RNA)
where:
Base-Base interactions energy: -112.242
where: short stacking energy: -50.633
Base-Backbone interact. energy: -0.083
local terms energy: -57.094024
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -100.337632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.337632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.337632 (E_RNA)
where:
Base-Base interactions energy: -44.793
where: short stacking energy: -44.303
Base-Backbone interact. energy: -0.151
local terms energy: -55.392783
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -79.180814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.180814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.180814 (E_RNA)
where:
Base-Base interactions energy: -25.643
where: short stacking energy: -21.420
Base-Backbone interact. energy: -0.385
local terms energy: -53.153027
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: 1.474
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: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -81.749089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.749089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.749089 (E_RNA)
where:
Base-Base interactions energy: -30.504
where: short stacking energy: -28.140
Base-Backbone interact. energy: -0.580
local terms energy: -50.665021
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -224.766714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.766714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.766714 (E_RNA)
where:
Base-Base interactions energy: -152.723
where: short stacking energy: -65.681
Base-Backbone interact. energy: -0.343
local terms energy: -71.701008
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -209.061281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.061281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.061281 (E_RNA)
where:
Base-Base interactions energy: -131.678
where: short stacking energy: -69.671
Base-Backbone interact. energy: -0.087
local terms energy: -77.296398
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -190.106646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106646 (E_RNA)
where:
Base-Base interactions energy: -126.016
where: short stacking energy: -62.378
Base-Backbone interact. energy: -0.036
local terms energy: -64.054298
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -186.615093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.615093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.615093 (E_RNA)
where:
Base-Base interactions energy: -123.675
where: short stacking energy: -60.407
Base-Backbone interact. energy: -0.110
local terms energy: -62.830100
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -12.075
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: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -206.880137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.880137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.880137 (E_RNA)
where:
Base-Base interactions energy: -132.494
where: short stacking energy: -58.912
Base-Backbone interact. energy: -0.579
local terms energy: -73.806822
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -10.037
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: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -195.092075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.092075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.092075 (E_RNA)
where:
Base-Base interactions energy: -126.385
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.042
local terms energy: -68.665175
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -173.920369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.920369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.920369 (E_RNA)
where:
Base-Base interactions energy: -106.389
where: short stacking energy: -56.134
Base-Backbone interact. energy: -0.118
local terms energy: -67.412973
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -90.550910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.550910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.550910 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -32.663
Base-Backbone interact. energy: -0.031
local terms energy: -54.720092
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -85.491986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.491986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.491986 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -19.852
Base-Backbone interact. energy: -0.331
local terms energy: -47.233139
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: 1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -77.384186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.384186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.384186 (E_RNA)
where:
Base-Base interactions energy: -31.457
where: short stacking energy: -26.147
Base-Backbone interact. energy: -0.318
local terms energy: -45.608900
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -7.189
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -222.542707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.542707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.542707 (E_RNA)
where:
Base-Base interactions energy: -143.958
where: short stacking energy: -61.785
Base-Backbone interact. energy: 0.096
local terms energy: -78.680300
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -9.062
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: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -205.500000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.500000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.500000 (E_RNA)
where:
Base-Base interactions energy: -126.121
where: short stacking energy: -68.706
Base-Backbone interact. energy: -0.283
local terms energy: -79.095704
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -196.813082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.813082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.813082 (E_RNA)
where:
Base-Base interactions energy: -126.947
where: short stacking energy: -59.301
Base-Backbone interact. energy: 0.583
local terms energy: -70.448364
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -202.123238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.123238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.123238 (E_RNA)
where:
Base-Base interactions energy: -135.669
where: short stacking energy: -61.164
Base-Backbone interact. energy: -0.548
local terms energy: -65.906334
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -181.438115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.438115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.438115 (E_RNA)
where:
Base-Base interactions energy: -122.601
where: short stacking energy: -46.885
Base-Backbone interact. energy: -0.211
local terms energy: -58.625431
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -199.859636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.859636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.859636 (E_RNA)
where:
Base-Base interactions energy: -133.158
where: short stacking energy: -67.409
Base-Backbone interact. energy: -0.033
local terms energy: -66.668484
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -19.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -169.669051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.669051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.669051 (E_RNA)
where:
Base-Base interactions energy: -108.562
where: short stacking energy: -52.226
Base-Backbone interact. energy: -0.045
local terms energy: -61.062451
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -93.813826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.813826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.813826 (E_RNA)
where:
Base-Base interactions energy: -41.887
where: short stacking energy: -39.355
Base-Backbone interact. energy: -0.231
local terms energy: -51.696173
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -73.919727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.919727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.919727 (E_RNA)
where:
Base-Base interactions energy: -17.946
where: short stacking energy: -15.599
Base-Backbone interact. energy: -0.839
local terms energy: -55.134293
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -10.555
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: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -78.593774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.593774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.593774 (E_RNA)
where:
Base-Base interactions energy: -18.399
where: short stacking energy: -18.399
Base-Backbone interact. energy: -0.247
local terms energy: -59.947938
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -216.084144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.084144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.084144 (E_RNA)
where:
Base-Base interactions energy: -138.693
where: short stacking energy: -73.214
Base-Backbone interact. energy: -0.010
local terms energy: -77.381237
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -12.184
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: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -225.313451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.313451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.313451 (E_RNA)
where:
Base-Base interactions energy: -150.904
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.839
local terms energy: -73.569983
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -212.985539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.985539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.985539 (E_RNA)
where:
Base-Base interactions energy: -140.498
where: short stacking energy: -58.616
Base-Backbone interact. energy: -0.949
local terms energy: -71.538349
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.898
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: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -196.461400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.461400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.461400 (E_RNA)
where:
Base-Base interactions energy: -116.687
where: short stacking energy: -56.985
Base-Backbone interact. energy: -0.569
local terms energy: -79.205342
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -201.212261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.212261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.212261 (E_RNA)
where:
Base-Base interactions energy: -130.624
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.116
local terms energy: -70.471653
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -16.202
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: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -185.006209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.006209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.006209 (E_RNA)
where:
Base-Base interactions energy: -119.647
where: short stacking energy: -58.326
Base-Backbone interact. energy: -0.029
local terms energy: -65.330084
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -166.922355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.922355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.922355 (E_RNA)
where:
Base-Base interactions energy: -106.514
where: short stacking energy: -46.550
Base-Backbone interact. energy: -0.007
local terms energy: -60.401316
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -9.161
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -97.205537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.205537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.205537 (E_RNA)
where:
Base-Base interactions energy: -47.028
where: short stacking energy: -33.647
Base-Backbone interact. energy: -0.031
local terms energy: -50.146287
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -2.234
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -93.397961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.397961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.397961 (E_RNA)
where:
Base-Base interactions energy: -30.538
where: short stacking energy: -26.546
Base-Backbone interact. energy: 0.017
local terms energy: -62.877397
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -4.886
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: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -79.006470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.006470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.006470 (E_RNA)
where:
Base-Base interactions energy: -26.817
where: short stacking energy: -24.012
Base-Backbone interact. energy: -0.664
local terms energy: -51.525217
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -1.298
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: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -199.789157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.789157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.789157 (E_RNA)
where:
Base-Base interactions energy: -126.513
where: short stacking energy: -62.908
Base-Backbone interact. energy: -0.043
local terms energy: -73.233424
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -5.056
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: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -225.700644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.700644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.700644 (E_RNA)
where:
Base-Base interactions energy: -155.793
where: short stacking energy: -64.534
Base-Backbone interact. energy: -1.106
local terms energy: -68.801857
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -218.479536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.479536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.479536 (E_RNA)
where:
Base-Base interactions energy: -142.913
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.445
local terms energy: -75.121160
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -11.535
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: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -200.253845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.253845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.253845 (E_RNA)
where:
Base-Base interactions energy: -127.801
where: short stacking energy: -53.368
Base-Backbone interact. energy: -1.621
local terms energy: -70.831290
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -8.008
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: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -202.313018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.313018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.313018 (E_RNA)
where:
Base-Base interactions energy: -136.926
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.080
local terms energy: -65.307050
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -177.343884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.343884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.343884 (E_RNA)
where:
Base-Base interactions energy: -113.635
where: short stacking energy: -56.453
Base-Backbone interact. energy: -0.119
local terms energy: -63.590308
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.096
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: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -183.715933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.715933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.715933 (E_RNA)
where:
Base-Base interactions energy: -116.756
where: short stacking energy: -60.130
Base-Backbone interact. energy: -0.010
local terms energy: -66.950017
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -5.647
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: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -92.740748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.740748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.740748 (E_RNA)
where:
Base-Base interactions energy: -38.853
where: short stacking energy: -38.228
Base-Backbone interact. energy: -0.063
local terms energy: -53.824513
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -89.342519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.342519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.342519 (E_RNA)
where:
Base-Base interactions energy: -38.495
where: short stacking energy: -38.495
Base-Backbone interact. energy: -0.029
local terms energy: -50.819429
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -8.599
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -81.500373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.500373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.500373 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -34.568
Base-Backbone interact. energy: -0.599
local terms energy: -43.781366
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -226.806100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.806100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.806100 (E_RNA)
where:
Base-Base interactions energy: -156.282
where: short stacking energy: -65.498
Base-Backbone interact. energy: 0.175
local terms energy: -70.698897
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -209.662679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.662679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.662679 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -66.449
Base-Backbone interact. energy: -0.095
local terms energy: -71.017370
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -216.376882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.376882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.376882 (E_RNA)
where:
Base-Base interactions energy: -143.973
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.416
local terms energy: -71.988407
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -192.229152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.229152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.229152 (E_RNA)
where:
Base-Base interactions energy: -121.676
where: short stacking energy: -59.810
Base-Backbone interact. energy: -0.001
local terms energy: -70.552589
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -15.569
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: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -183.788935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.788935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.788935 (E_RNA)
where:
Base-Base interactions energy: -123.648
where: short stacking energy: -48.826
Base-Backbone interact. energy: -0.762
local terms energy: -59.379346
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -207.827581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.827581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.827581 (E_RNA)
where:
Base-Base interactions energy: -138.919
where: short stacking energy: -64.732
Base-Backbone interact. energy: 0.993
local terms energy: -69.901941
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -18.872
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: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -172.280822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.280822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.280822 (E_RNA)
where:
Base-Base interactions energy: -112.871
where: short stacking energy: -53.551
Base-Backbone interact. energy: -0.063
local terms energy: -59.346454
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -88.681904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.681904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.681904 (E_RNA)
where:
Base-Base interactions energy: -35.671
where: short stacking energy: -24.677
Base-Backbone interact. energy: 1.378
local terms energy: -54.389659
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -2.812
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: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -78.532407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.532407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.532407 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -20.549
Base-Backbone interact. energy: -0.746
local terms energy: -50.741050
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -3.154
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: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -86.901409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901409 (E_RNA)
where:
Base-Base interactions energy: -33.143
where: short stacking energy: -27.753
Base-Backbone interact. energy: -0.005
local terms energy: -53.753242
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -226.371679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.371679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.371679 (E_RNA)
where:
Base-Base interactions energy: -153.601
where: short stacking energy: -66.329
Base-Backbone interact. energy: 0.365
local terms energy: -73.136211
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -13.806
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: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -219.733046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.733046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.733046 (E_RNA)
where:
Base-Base interactions energy: -145.849
where: short stacking energy: -63.682
Base-Backbone interact. energy: 2.591
local terms energy: -76.474329
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -204.377635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.377635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.377635 (E_RNA)
where:
Base-Base interactions energy: -130.333
where: short stacking energy: -62.801
Base-Backbone interact. energy: -0.025
local terms energy: -74.019670
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -206.100090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.100090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.100090 (E_RNA)
where:
Base-Base interactions energy: -150.123
where: short stacking energy: -73.787
Base-Backbone interact. energy: -0.022
local terms energy: -55.954764
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -4.258
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: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -184.545883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.545883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.545883 (E_RNA)
where:
Base-Base interactions energy: -121.616
where: short stacking energy: -52.380
Base-Backbone interact. energy: -0.188
local terms energy: -62.741586
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -174.431188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.431188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.431188 (E_RNA)
where:
Base-Base interactions energy: -112.367
where: short stacking energy: -49.795
Base-Backbone interact. energy: -0.045
local terms energy: -62.019173
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -2.209
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -180.039976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.039976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.039976 (E_RNA)
where:
Base-Base interactions energy: -117.584
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.108
local terms energy: -62.347552
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -91.962389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.962389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.962389 (E_RNA)
where:
Base-Base interactions energy: -40.287
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.017
local terms energy: -51.658642
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -98.054574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.054574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.054574 (E_RNA)
where:
Base-Base interactions energy: -49.637
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.880
local terms energy: -47.538335
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: 2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -80.040433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.040433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.040433 (E_RNA)
where:
Base-Base interactions energy: -28.090
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.063
local terms energy: -51.887815
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -220.467370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.467370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.467370 (E_RNA)
where:
Base-Base interactions energy: -145.485
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.085
local terms energy: -74.896996
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -7.613
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -215.049746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.049746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.049746 (E_RNA)
where:
Base-Base interactions energy: -147.812
where: short stacking energy: -59.292
Base-Backbone interact. energy: -0.041
local terms energy: -67.196381
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -197.133961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.133961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.133961 (E_RNA)
where:
Base-Base interactions energy: -135.793
where: short stacking energy: -53.433
Base-Backbone interact. energy: -0.414
local terms energy: -60.926893
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -198.864665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.864665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.864665 (E_RNA)
where:
Base-Base interactions energy: -136.234
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.110
local terms energy: -62.520529
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.198
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: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -180.244687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.244687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.244687 (E_RNA)
where:
Base-Base interactions energy: -112.576
where: short stacking energy: -54.736
Base-Backbone interact. energy: -0.130
local terms energy: -67.538466
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -6.170
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: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -180.236571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.236571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.236571 (E_RNA)
where:
Base-Base interactions energy: -121.325
where: short stacking energy: -45.618
Base-Backbone interact. energy: -0.291
local terms energy: -58.620190
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -8.962
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: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -204.329405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.329405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.329405 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -62.019
Base-Backbone interact. energy: -0.181
local terms energy: -64.829765
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -76.312584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.312584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.312584 (E_RNA)
where:
Base-Base interactions energy: -28.761
where: short stacking energy: -23.483
Base-Backbone interact. energy: -0.250
local terms energy: -47.301696
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -5.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -101.621138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.621138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.621138 (E_RNA)
where:
Base-Base interactions energy: -49.554
where: short stacking energy: -22.941
Base-Backbone interact. energy: 1.209
local terms energy: -53.276541
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -75.254384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.254384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.254384 (E_RNA)
where:
Base-Base interactions energy: -35.955
where: short stacking energy: -23.217
Base-Backbone interact. energy: -1.016
local terms energy: -38.283233
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: 4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -217.391023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.391023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.391023 (E_RNA)
where:
Base-Base interactions energy: -144.902
where: short stacking energy: -59.077
Base-Backbone interact. energy: -0.443
local terms energy: -72.045602
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -206.913027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.913027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.913027 (E_RNA)
where:
Base-Base interactions energy: -140.369
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.918
local terms energy: -65.625114
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -222.865498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.865498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.865498 (E_RNA)
where:
Base-Base interactions energy: -154.455
where: short stacking energy: -60.650
Base-Backbone interact. energy: 0.946
local terms energy: -69.355981
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -191.978786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.978786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.978786 (E_RNA)
where:
Base-Base interactions energy: -121.197
where: short stacking energy: -70.017
Base-Backbone interact. energy: -0.001
local terms energy: -70.780904
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -193.008928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.008928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.008928 (E_RNA)
where:
Base-Base interactions energy: -127.094
where: short stacking energy: -66.061
Base-Backbone interact. energy: -0.162
local terms energy: -65.752793
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -14.010
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: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -184.707763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.707763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.707763 (E_RNA)
where:
Base-Base interactions energy: -123.613
where: short stacking energy: -48.716
Base-Backbone interact. energy: -1.224
local terms energy: -59.870989
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -173.909297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.909297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.909297 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -48.826
Base-Backbone interact. energy: 2.651
local terms energy: -62.934427
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -135.386166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.386166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.386166 (E_RNA)
where:
Base-Base interactions energy: -76.391
where: short stacking energy: -31.560
Base-Backbone interact. energy: -1.125
local terms energy: -57.870019
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -82.370866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.370866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.370866 (E_RNA)
where:
Base-Base interactions energy: -30.865
where: short stacking energy: -22.886
Base-Backbone interact. energy: -0.032
local terms energy: -51.473509
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -75.489518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.489518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.489518 (E_RNA)
where:
Base-Base interactions energy: -24.228
where: short stacking energy: -18.740
Base-Backbone interact. energy: -0.220
local terms energy: -51.041266
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -199.775612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.775612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.775612 (E_RNA)
where:
Base-Base interactions energy: -126.769
where: short stacking energy: -60.857
Base-Backbone interact. energy: 0.199
local terms energy: -73.206474
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -211.049946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.049946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.049946 (E_RNA)
where:
Base-Base interactions energy: -140.854
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.996
local terms energy: -69.199949
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -219.540346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.540346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.540346 (E_RNA)
where:
Base-Base interactions energy: -151.428
where: short stacking energy: -64.411
Base-Backbone interact. energy: -0.013
local terms energy: -68.099287
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -195.513359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.513359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.513359 (E_RNA)
where:
Base-Base interactions energy: -130.810
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.029
local terms energy: -64.674239
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -15.129
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: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -189.094918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.094918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.094918 (E_RNA)
where:
Base-Base interactions energy: -124.634
where: short stacking energy: -60.179
Base-Backbone interact. energy: -1.094
local terms energy: -63.366951
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -198.231602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.231602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.231602 (E_RNA)
where:
Base-Base interactions energy: -133.981
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.530
local terms energy: -63.720978
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -179.969491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.969491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.969491 (E_RNA)
where:
Base-Base interactions energy: -119.664
where: short stacking energy: -58.986
Base-Backbone interact. energy: -0.016
local terms energy: -60.289809
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -77.761732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.761732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.761732 (E_RNA)
where:
Base-Base interactions energy: -25.253
where: short stacking energy: -25.253
Base-Backbone interact. energy: -0.120
local terms energy: -52.387866
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -80.946277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.946277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.946277 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -31.952
Base-Backbone interact. energy: 1.329
local terms energy: -50.323674
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -76.196541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.196541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.196541 (E_RNA)
where:
Base-Base interactions energy: -29.745
where: short stacking energy: -15.957
Base-Backbone interact. energy: 0.503
local terms energy: -46.954723
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -9.513
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: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -207.459919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.459919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.459919 (E_RNA)
where:
Base-Base interactions energy: -133.868
where: short stacking energy: -67.572
Base-Backbone interact. energy: -0.010
local terms energy: -73.581466
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -228.244760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.244760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.244760 (E_RNA)
where:
Base-Base interactions energy: -159.733
where: short stacking energy: -69.944
Base-Backbone interact. energy: -0.126
local terms energy: -68.386307
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -199.044231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.044231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.044231 (E_RNA)
where:
Base-Base interactions energy: -127.418
where: short stacking energy: -60.859
Base-Backbone interact. energy: -0.041
local terms energy: -71.585900
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -195.223053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.223053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.223053 (E_RNA)
where:
Base-Base interactions energy: -128.508
where: short stacking energy: -66.778
Base-Backbone interact. energy: -0.127
local terms energy: -66.587900
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -6.886
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: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -203.812692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.812692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.812692 (E_RNA)
where:
Base-Base interactions energy: -127.900
where: short stacking energy: -70.092
Base-Backbone interact. energy: -0.019
local terms energy: -75.892881
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -179.635451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.635451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.635451 (E_RNA)
where:
Base-Base interactions energy: -119.300
where: short stacking energy: -54.658
Base-Backbone interact. energy: -0.028
local terms energy: -60.307155
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -7.005
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: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -184.945794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.945794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.945794 (E_RNA)
where:
Base-Base interactions energy: -119.865
where: short stacking energy: -46.590
Base-Backbone interact. energy: -0.931
local terms energy: -64.149652
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -12.402
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: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -93.796349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.796349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.796349 (E_RNA)
where:
Base-Base interactions energy: -44.347
where: short stacking energy: -25.923
Base-Backbone interact. energy: 1.995
local terms energy: -51.444551
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -85.772215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.772215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.772215 (E_RNA)
where:
Base-Base interactions energy: -45.300
where: short stacking energy: -21.212
Base-Backbone interact. energy: -0.209
local terms energy: -40.262935
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: 2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -83.879824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.879824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.879824 (E_RNA)
where:
Base-Base interactions energy: -47.258
where: short stacking energy: -21.032
Base-Backbone interact. energy: -0.175
local terms energy: -36.446613
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: 2.933
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: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -234.587373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.587373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.587373 (E_RNA)
where:
Base-Base interactions energy: -161.935
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.597
local terms energy: -72.055658
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -210.371966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.371966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.371966 (E_RNA)
where:
Base-Base interactions energy: -140.207
where: short stacking energy: -74.798
Base-Backbone interact. energy: 0.110
local terms energy: -70.275077
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -10.434
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: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -204.491521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.491521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.491521 (E_RNA)
where:
Base-Base interactions energy: -140.255
where: short stacking energy: -67.715
Base-Backbone interact. energy: 0.402
local terms energy: -64.637708
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -200.941663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.941663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.941663 (E_RNA)
where:
Base-Base interactions energy: -135.548
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.001
local terms energy: -65.392798
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -183.791988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.791988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.791988 (E_RNA)
where:
Base-Base interactions energy: -113.581
where: short stacking energy: -54.636
Base-Backbone interact. energy: 1.296
local terms energy: -71.507075
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -187.848745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.848745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.848745 (E_RNA)
where:
Base-Base interactions energy: -118.676
where: short stacking energy: -63.032
Base-Backbone interact. energy: -0.318
local terms energy: -68.854342
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -10.912
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: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -191.772012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.772012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.772012 (E_RNA)
where:
Base-Base interactions energy: -130.099
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.264
local terms energy: -61.408465
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -91.239047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.239047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.239047 (E_RNA)
where:
Base-Base interactions energy: -42.306
where: short stacking energy: -19.784
Base-Backbone interact. energy: 0.757
local terms energy: -49.689105
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -77.279779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.279779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.279779 (E_RNA)
where:
Base-Base interactions energy: -26.891
where: short stacking energy: -23.925
Base-Backbone interact. energy: -0.144
local terms energy: -50.244543
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -84.019606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.019606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.019606 (E_RNA)
where:
Base-Base interactions energy: -33.508
where: short stacking energy: -31.129
Base-Backbone interact. energy: 0.415
local terms energy: -50.927093
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -1.546
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: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -230.746416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.746416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.746416 (E_RNA)
where:
Base-Base interactions energy: -157.441
where: short stacking energy: -65.346
Base-Backbone interact. energy: 0.069
local terms energy: -73.373810
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -206.984324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.984324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.984324 (E_RNA)
where:
Base-Base interactions energy: -130.223
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.017
local terms energy: -76.744513
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -190.144656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.144656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.144656 (E_RNA)
where:
Base-Base interactions energy: -118.157
where: short stacking energy: -56.198
Base-Backbone interact. energy: 1.191
local terms energy: -73.178430
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -208.009970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.009970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.009970 (E_RNA)
where:
Base-Base interactions energy: -141.564
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.241
local terms energy: -66.204850
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -176.903172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.903172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.903172 (E_RNA)
where:
Base-Base interactions energy: -115.958
where: short stacking energy: -51.841
Base-Backbone interact. energy: -0.740
local terms energy: -60.204830
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -198.330640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.330640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.330640 (E_RNA)
where:
Base-Base interactions energy: -142.409
where: short stacking energy: -57.719
Base-Backbone interact. energy: -0.648
local terms energy: -55.273558
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -6.085
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -178.111401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.111401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.111401 (E_RNA)
where:
Base-Base interactions energy: -118.644
where: short stacking energy: -50.097
Base-Backbone interact. energy: -0.052
local terms energy: -59.416014
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -120.313058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.313058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.313058 (E_RNA)
where:
Base-Base interactions energy: -66.597
where: short stacking energy: -33.388
Base-Backbone interact. energy: -0.135
local terms energy: -53.580676
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -96.738610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.738610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.738610 (E_RNA)
where:
Base-Base interactions energy: -50.224
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.082
local terms energy: -46.432689
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -73.037219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.037219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.037219 (E_RNA)
where:
Base-Base interactions energy: -28.959
where: short stacking energy: -27.357
Base-Backbone interact. energy: -0.178
local terms energy: -43.900637
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -2.037
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: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -223.735458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.735458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.735458 (E_RNA)
where:
Base-Base interactions energy: -157.720
where: short stacking energy: -60.528
Base-Backbone interact. energy: 0.462
local terms energy: -66.477560
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -1.690
tors. eta vs tors. theta energy: -16.529
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: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -205.316716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.316716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.316716 (E_RNA)
where:
Base-Base interactions energy: -130.580
where: short stacking energy: -70.572
Base-Backbone interact. energy: -0.226
local terms energy: -74.510741
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -8.061
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: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -206.015660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.015660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.015660 (E_RNA)
where:
Base-Base interactions energy: -142.723
where: short stacking energy: -53.704
Base-Backbone interact. energy: -0.199
local terms energy: -63.094349
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -7.776
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: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -196.394737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.394737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.394737 (E_RNA)
where:
Base-Base interactions energy: -124.047
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.289
local terms energy: -72.058263
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -15.978
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: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -192.443689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.443689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.443689 (E_RNA)
where:
Base-Base interactions energy: -123.516
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.035
local terms energy: -68.893569
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -182.064027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.064027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.064027 (E_RNA)
where:
Base-Base interactions energy: -114.203
where: short stacking energy: -48.945
Base-Backbone interact. energy: -0.277
local terms energy: -67.583945
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.425
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: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -184.771674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.771674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.771674 (E_RNA)
where:
Base-Base interactions energy: -123.562
where: short stacking energy: -54.106
Base-Backbone interact. energy: -0.004
local terms energy: -61.205622
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -118.907359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.907359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.907359 (E_RNA)
where:
Base-Base interactions energy: -66.848
where: short stacking energy: -27.169
Base-Backbone interact. energy: 1.132
local terms energy: -53.191413
where:
bonds (distance) C4'-P energy: -6.618
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -4.700
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: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -82.275545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.275545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.275545 (E_RNA)
where:
Base-Base interactions energy: -30.325
where: short stacking energy: -25.361
Base-Backbone interact. energy: 2.593
local terms energy: -54.543292
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -3.214
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: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -83.650481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.650481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.650481 (E_RNA)
where:
Base-Base interactions energy: -38.887
where: short stacking energy: -35.063
Base-Backbone interact. energy: -0.081
local terms energy: -44.682929
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -8.670
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -228.198218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.198218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.198218 (E_RNA)
where:
Base-Base interactions energy: -159.161
where: short stacking energy: -69.228
Base-Backbone interact. energy: 1.822
local terms energy: -70.859966
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.578
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: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -206.603885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.603885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.603885 (E_RNA)
where:
Base-Base interactions energy: -130.252
where: short stacking energy: -64.923
Base-Backbone interact. energy: -0.108
local terms energy: -76.243169
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -10.170
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: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -200.556529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.556529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.556529 (E_RNA)
where:
Base-Base interactions energy: -131.924
where: short stacking energy: -71.783
Base-Backbone interact. energy: -0.024
local terms energy: -68.608312
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -7.687
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: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -194.818251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.818251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.818251 (E_RNA)
where:
Base-Base interactions energy: -124.077
where: short stacking energy: -62.395
Base-Backbone interact. energy: -0.222
local terms energy: -70.519511
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -14.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -195.864092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.864092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.864092 (E_RNA)
where:
Base-Base interactions energy: -133.617
where: short stacking energy: -52.523
Base-Backbone interact. energy: 0.280
local terms energy: -62.526517
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -181.636156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.636156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.636156 (E_RNA)
where:
Base-Base interactions energy: -115.137
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.076
local terms energy: -66.423580
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -166.907604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.907604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.907604 (E_RNA)
where:
Base-Base interactions energy: -109.234
where: short stacking energy: -48.085
Base-Backbone interact. energy: -0.014
local terms energy: -57.660522
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -9.006
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -9.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -85.744865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.744865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.744865 (E_RNA)
where:
Base-Base interactions energy: -50.826
where: short stacking energy: -19.097
Base-Backbone interact. energy: -0.159
local terms energy: -34.759258
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -1.621
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: 0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -131.707206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.707206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.707206 (E_RNA)
where:
Base-Base interactions energy: -78.087
where: short stacking energy: -39.780
Base-Backbone interact. energy: -0.163
local terms energy: -53.457015
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -73.994582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.994582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.994582 (E_RNA)
where:
Base-Base interactions energy: -34.072
where: short stacking energy: -29.026
Base-Backbone interact. energy: -0.057
local terms energy: -39.864895
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -0.035
tors. eta vs tors. theta energy: -0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -229.950924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.950924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.950924 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -64.835
Base-Backbone interact. energy: -0.595
local terms energy: -69.548144
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -8.192
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: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -212.614908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.614908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.614908 (E_RNA)
where:
Base-Base interactions energy: -144.974
where: short stacking energy: -59.340
Base-Backbone interact. energy: -0.040
local terms energy: -67.600502
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -202.943704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.943704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.943704 (E_RNA)
where:
Base-Base interactions energy: -132.632
where: short stacking energy: -68.956
Base-Backbone interact. energy: -0.265
local terms energy: -70.046432
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -197.654356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.654356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.654356 (E_RNA)
where:
Base-Base interactions energy: -130.747
where: short stacking energy: -59.785
Base-Backbone interact. energy: -0.030
local terms energy: -66.877619
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -13.988
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: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -215.363162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.363162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.363162 (E_RNA)
where:
Base-Base interactions energy: -141.327
where: short stacking energy: -70.111
Base-Backbone interact. energy: -0.001
local terms energy: -74.035311
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -195.226628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.226628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.226628 (E_RNA)
where:
Base-Base interactions energy: -139.348
where: short stacking energy: -59.658
Base-Backbone interact. energy: -1.352
local terms energy: -54.526231
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -175.714461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.714461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.714461 (E_RNA)
where:
Base-Base interactions energy: -112.720
where: short stacking energy: -56.634
Base-Backbone interact. energy: 4.191
local terms energy: -67.185842
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -104.105604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.105604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.105604 (E_RNA)
where:
Base-Base interactions energy: -44.364
where: short stacking energy: -30.232
Base-Backbone interact. energy: -0.111
local terms energy: -59.630408
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -87.229174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229174 (E_RNA)
where:
Base-Base interactions energy: -33.982
where: short stacking energy: -31.558
Base-Backbone interact. energy: -0.246
local terms energy: -53.001696
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -6.257
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: 236
Temperature: 1.350000
Total energy: -74.952850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.952850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.952850 (E_RNA)
where:
Base-Base interactions energy: -24.554
where: short stacking energy: -24.554
Base-Backbone interact. energy: -0.009
local terms energy: -50.389681
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -7.455
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: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -225.868876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.868876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.868876 (E_RNA)
where:
Base-Base interactions energy: -152.695
where: short stacking energy: -67.726
Base-Backbone interact. energy: -0.819
local terms energy: -72.355540
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -6.376
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: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -215.602440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.602440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.602440 (E_RNA)
where:
Base-Base interactions energy: -144.526
where: short stacking energy: -61.916
Base-Backbone interact. energy: -0.003
local terms energy: -71.074277
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -9.913
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: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -200.822505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.822505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.822505 (E_RNA)
where:
Base-Base interactions energy: -134.586
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.002
local terms energy: -66.234069
where:
bonds (distance) C4'-P energy: -4.901
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -189.799713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.799713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.799713 (E_RNA)
where:
Base-Base interactions energy: -127.160
where: short stacking energy: -60.440
Base-Backbone interact. energy: -0.035
local terms energy: -62.605007
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -16.638
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: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -192.152009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.152009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.152009 (E_RNA)
where:
Base-Base interactions energy: -128.685
where: short stacking energy: -63.941
Base-Backbone interact. energy: -0.012
local terms energy: -63.455101
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -8.792
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: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -181.488232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.488232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.488232 (E_RNA)
where:
Base-Base interactions energy: -115.542
where: short stacking energy: -47.598
Base-Backbone interact. energy: -0.997
local terms energy: -64.949092
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -179.715495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.715495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.715495 (E_RNA)
where:
Base-Base interactions energy: -113.367
where: short stacking energy: -55.834
Base-Backbone interact. energy: -0.014
local terms energy: -66.334154
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -14.551
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: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -90.554887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.554887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.554887 (E_RNA)
where:
Base-Base interactions energy: -43.357
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.213
local terms energy: -46.985139
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -6.541
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -100.280206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.280206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.280206 (E_RNA)
where:
Base-Base interactions energy: -45.283
where: short stacking energy: -25.595
Base-Backbone interact. energy: -0.135
local terms energy: -54.862275
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -80.889688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.889688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.889688 (E_RNA)
where:
Base-Base interactions energy: -29.233
where: short stacking energy: -15.477
Base-Backbone interact. energy: -0.034
local terms energy: -51.622102
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -209.222222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.222222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.222222 (E_RNA)
where:
Base-Base interactions energy: -127.305
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.000
local terms energy: -81.916901
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -21.441
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: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -215.938595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.938595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.938595 (E_RNA)
where:
Base-Base interactions energy: -149.539
where: short stacking energy: -60.583
Base-Backbone interact. energy: -0.379
local terms energy: -66.020347
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -202.366639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.366639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.366639 (E_RNA)
where:
Base-Base interactions energy: -125.059
where: short stacking energy: -63.793
Base-Backbone interact. energy: -0.001
local terms energy: -77.305888
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -9.043
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: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -196.821441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.821441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.821441 (E_RNA)
where:
Base-Base interactions energy: -127.742
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.005
local terms energy: -69.074547
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -6.706
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: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -185.421966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.421966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.421966 (E_RNA)
where:
Base-Base interactions energy: -119.106
where: short stacking energy: -58.916
Base-Backbone interact. energy: -0.002
local terms energy: -66.314311
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -10.230
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -182.565307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.565307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.565307 (E_RNA)
where:
Base-Base interactions energy: -115.697
where: short stacking energy: -52.260
Base-Backbone interact. energy: 0.508
local terms energy: -67.375828
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.402
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: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -178.202368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.202368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.202368 (E_RNA)
where:
Base-Base interactions energy: -118.369
where: short stacking energy: -52.537
Base-Backbone interact. energy: -0.120
local terms energy: -59.713840
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -101.347322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.347322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.347322 (E_RNA)
where:
Base-Base interactions energy: -64.159
where: short stacking energy: -29.702
Base-Backbone interact. energy: -0.909
local terms energy: -36.279364
where:
bonds (distance) C4'-P energy: -7.399
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -1.102
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -87.646505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.646505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.646505 (E_RNA)
where:
Base-Base interactions energy: -41.400
where: short stacking energy: -28.304
Base-Backbone interact. energy: -0.238
local terms energy: -46.008614
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -2.473
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: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -72.122831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.122831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.122831 (E_RNA)
where:
Base-Base interactions energy: -29.537
where: short stacking energy: -25.670
Base-Backbone interact. energy: -0.163
local terms energy: -42.422078
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -7.406
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -216.388887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.388887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.388887 (E_RNA)
where:
Base-Base interactions energy: -147.367
where: short stacking energy: -71.001
Base-Backbone interact. energy: -0.096
local terms energy: -68.925012
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -6.830
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: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -213.269041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.269041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.269041 (E_RNA)
where:
Base-Base interactions energy: -144.329
where: short stacking energy: -60.138
Base-Backbone interact. energy: -0.427
local terms energy: -68.513362
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -196.891067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.891067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.891067 (E_RNA)
where:
Base-Base interactions energy: -123.397
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.073
local terms energy: -73.420904
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -219.789063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.789063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.789063 (E_RNA)
where:
Base-Base interactions energy: -140.990
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.117
local terms energy: -78.682729
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -177.568354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.568354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.568354 (E_RNA)
where:
Base-Base interactions energy: -115.420
where: short stacking energy: -59.859
Base-Backbone interact. energy: -0.083
local terms energy: -62.065326
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -177.058976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.058976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.058976 (E_RNA)
where:
Base-Base interactions energy: -111.206
where: short stacking energy: -58.418
Base-Backbone interact. energy: -0.670
local terms energy: -65.183373
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -161.133776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.133776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.133776 (E_RNA)
where:
Base-Base interactions energy: -104.177
where: short stacking energy: -50.103
Base-Backbone interact. energy: -0.326
local terms energy: -56.630886
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -86.070866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.070866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.070866 (E_RNA)
where:
Base-Base interactions energy: -33.409
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.027
local terms energy: -52.634157
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -90.536673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.536673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.536673 (E_RNA)
where:
Base-Base interactions energy: -39.900
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.088
local terms energy: -50.548482
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -3.003
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: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -78.013128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.013128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.013128 (E_RNA)
where:
Base-Base interactions energy: -32.034
where: short stacking energy: -28.664
Base-Backbone interact. energy: 0.167
local terms energy: -46.146236
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: 1.319
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: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -218.574240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.574240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.574240 (E_RNA)
where:
Base-Base interactions energy: -155.876
where: short stacking energy: -62.180
Base-Backbone interact. energy: 0.376
local terms energy: -63.073393
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -5.095
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -14.648
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: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -202.544024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.544024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.544024 (E_RNA)
where:
Base-Base interactions energy: -129.491
where: short stacking energy: -69.377
Base-Backbone interact. energy: -0.205
local terms energy: -72.848295
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -8.532
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: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -220.972367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.972367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.972367 (E_RNA)
where:
Base-Base interactions energy: -146.617
where: short stacking energy: -74.235
Base-Backbone interact. energy: -0.037
local terms energy: -74.318031
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -18.471
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: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -188.430474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.430474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.430474 (E_RNA)
where:
Base-Base interactions energy: -115.479
where: short stacking energy: -56.033
Base-Backbone interact. energy: -0.088
local terms energy: -72.863522
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -172.865748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.865748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.865748 (E_RNA)
where:
Base-Base interactions energy: -112.780
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.092
local terms energy: -59.994127
where:
bonds (distance) C4'-P energy: -6.688
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -183.697362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.697362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.697362 (E_RNA)
where:
Base-Base interactions energy: -126.166
where: short stacking energy: -50.789
Base-Backbone interact. energy: -0.488
local terms energy: -57.043227
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -147.223006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.223006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.223006 (E_RNA)
where:
Base-Base interactions energy: -85.878
where: short stacking energy: -39.928
Base-Backbone interact. energy: -0.675
local terms energy: -60.670696
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -88.891185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.891185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.891185 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -33.200
Base-Backbone interact. energy: -0.096
local terms energy: -55.595481
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -85.105669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.105669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.105669 (E_RNA)
where:
Base-Base interactions energy: -37.494
where: short stacking energy: -24.711
Base-Backbone interact. energy: -0.242
local terms energy: -47.369697
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -87.690857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.690857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.690857 (E_RNA)
where:
Base-Base interactions energy: -49.207
where: short stacking energy: -24.737
Base-Backbone interact. energy: 1.728
local terms energy: -40.212478
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: 1.152
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: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -215.902989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.902989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.902989 (E_RNA)
where:
Base-Base interactions energy: -148.658
where: short stacking energy: -68.058
Base-Backbone interact. energy: -0.357
local terms energy: -66.887499
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -15.504
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: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -227.438699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.438699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.438699 (E_RNA)
where:
Base-Base interactions energy: -153.105
where: short stacking energy: -67.518
Base-Backbone interact. energy: -0.012
local terms energy: -74.321745
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -206.822033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.822033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.822033 (E_RNA)
where:
Base-Base interactions energy: -131.768
where: short stacking energy: -66.374
Base-Backbone interact. energy: -0.003
local terms energy: -75.051880
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -22.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -189.143006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.143006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.143006 (E_RNA)
where:
Base-Base interactions energy: -128.575
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.228
local terms energy: -60.339844
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -5.753
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: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -174.736877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.736877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.736877 (E_RNA)
where:
Base-Base interactions energy: -107.317
where: short stacking energy: -57.280
Base-Backbone interact. energy: -0.033
local terms energy: -67.387748
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -145.475462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.475462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.475462 (E_RNA)
where:
Base-Base interactions energy: -86.279
where: short stacking energy: -42.027
Base-Backbone interact. energy: 0.028
local terms energy: -59.224424
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -11.175
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: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -180.618215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.618215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.618215 (E_RNA)
where:
Base-Base interactions energy: -119.656
where: short stacking energy: -54.561
Base-Backbone interact. energy: -0.094
local terms energy: -60.868506
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -84.472523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.472523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.472523 (E_RNA)
where:
Base-Base interactions energy: -38.278
where: short stacking energy: -27.644
Base-Backbone interact. energy: 0.242
local terms energy: -46.436772
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -90.121076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.121076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.121076 (E_RNA)
where:
Base-Base interactions energy: -43.165
where: short stacking energy: -27.081
Base-Backbone interact. energy: -0.050
local terms energy: -46.906392
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -2.214
tors. eta vs tors. theta energy: -7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -80.908445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.908445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.908445 (E_RNA)
where:
Base-Base interactions energy: -26.439
where: short stacking energy: -23.394
Base-Backbone interact. energy: 0.796
local terms energy: -55.265141
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -229.567494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.567494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.567494 (E_RNA)
where:
Base-Base interactions energy: -147.596
where: short stacking energy: -76.672
Base-Backbone interact. energy: -0.015
local terms energy: -81.956783
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -20.832
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: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -208.903444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.903444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.903444 (E_RNA)
where:
Base-Base interactions energy: -133.276
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.847
local terms energy: -74.780068
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -11.861
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: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -200.714923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.714923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.714923 (E_RNA)
where:
Base-Base interactions energy: -136.555
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.361
local terms energy: -63.798906
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -11.094
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: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -183.841970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.841970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.841970 (E_RNA)
where:
Base-Base interactions energy: -116.258
where: short stacking energy: -55.261
Base-Backbone interact. energy: -0.426
local terms energy: -67.158011
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -6.683
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: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -171.214854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.214854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.214854 (E_RNA)
where:
Base-Base interactions energy: -113.093
where: short stacking energy: -51.626
Base-Backbone interact. energy: 0.202
local terms energy: -58.323944
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -172.743686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.743686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.743686 (E_RNA)
where:
Base-Base interactions energy: -105.355
where: short stacking energy: -49.682
Base-Backbone interact. energy: 0.373
local terms energy: -67.761759
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -172.472321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.472321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.472321 (E_RNA)
where:
Base-Base interactions energy: -106.059
where: short stacking energy: -45.157
Base-Backbone interact. energy: -0.373
local terms energy: -66.039705
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -77.071958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.071958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.071958 (E_RNA)
where:
Base-Base interactions energy: -22.026
where: short stacking energy: -22.026
Base-Backbone interact. energy: -0.033
local terms energy: -55.012924
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -3.553
tors. eta vs tors. theta energy: -6.058
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: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -84.818391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.818391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.818391 (E_RNA)
where:
Base-Base interactions energy: -33.600
where: short stacking energy: -30.890
Base-Backbone interact. energy: -0.227
local terms energy: -50.991974
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -73.906721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.906721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.906721 (E_RNA)
where:
Base-Base interactions energy: -25.776
where: short stacking energy: -25.776
Base-Backbone interact. energy: 0.016
local terms energy: -48.146114
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: 2.912
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: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -220.852360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.852360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.852360 (E_RNA)
where:
Base-Base interactions energy: -144.776
where: short stacking energy: -69.306
Base-Backbone interact. energy: -0.008
local terms energy: -76.068605
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -19.632
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: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -207.708352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.708352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.708352 (E_RNA)
where:
Base-Base interactions energy: -138.925
where: short stacking energy: -56.579
Base-Backbone interact. energy: -0.470
local terms energy: -68.313092
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -216.056675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.056675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.056675 (E_RNA)
where:
Base-Base interactions energy: -143.393
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.396
local terms energy: -72.267721
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -189.161821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.161821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.161821 (E_RNA)
where:
Base-Base interactions energy: -125.318
where: short stacking energy: -54.588
Base-Backbone interact. energy: -0.262
local terms energy: -63.582314
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -189.834788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.834788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.834788 (E_RNA)
where:
Base-Base interactions energy: -120.399
where: short stacking energy: -65.146
Base-Backbone interact. energy: -0.009
local terms energy: -69.426923
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -182.488758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.488758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.488758 (E_RNA)
where:
Base-Base interactions energy: -116.891
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.045
local terms energy: -65.552434
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -168.998044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.998044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.998044 (E_RNA)
where:
Base-Base interactions energy: -117.000
where: short stacking energy: -57.382
Base-Backbone interact. energy: -0.234
local terms energy: -51.764320
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -83.296998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.296998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.296998 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -22.782
Base-Backbone interact. energy: -0.205
local terms energy: -50.748494
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -3.530
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: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -87.968397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.968397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.968397 (E_RNA)
where:
Base-Base interactions energy: -30.341
where: short stacking energy: -27.426
Base-Backbone interact. energy: -0.160
local terms energy: -57.467100
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -7.027
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: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -81.735552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.735552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.735552 (E_RNA)
where:
Base-Base interactions energy: -33.175
where: short stacking energy: -33.175
Base-Backbone interact. energy: -0.187
local terms energy: -48.372885
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -217.838045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.838045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.838045 (E_RNA)
where:
Base-Base interactions energy: -141.735
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.633
local terms energy: -75.470346
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -17.165
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: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -211.954680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.954680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.954680 (E_RNA)
where:
Base-Base interactions energy: -141.938
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.088
local terms energy: -69.928564
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -14.417
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: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -210.514350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.514350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.514350 (E_RNA)
where:
Base-Base interactions energy: -135.553
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.884
local terms energy: -74.077709
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -215.065265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.065265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.065265 (E_RNA)
where:
Base-Base interactions energy: -152.674
where: short stacking energy: -60.645
Base-Backbone interact. energy: -0.117
local terms energy: -62.273832
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -2.094
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: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -184.490650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.490650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.490650 (E_RNA)
where:
Base-Base interactions energy: -122.133
where: short stacking energy: -53.596
Base-Backbone interact. energy: -0.056
local terms energy: -62.301718
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -188.479252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.479252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.479252 (E_RNA)
where:
Base-Base interactions energy: -118.290
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.001
local terms energy: -70.188032
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -13.350
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -174.495975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.495975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.495975 (E_RNA)
where:
Base-Base interactions energy: -116.117
where: short stacking energy: -57.245
Base-Backbone interact. energy: 1.613
local terms energy: -59.992117
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -78.562007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.562007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.562007 (E_RNA)
where:
Base-Base interactions energy: -33.256
where: short stacking energy: -20.129
Base-Backbone interact. energy: -0.694
local terms energy: -44.612021
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -7.466
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: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -104.170823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.170823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.170823 (E_RNA)
where:
Base-Base interactions energy: -59.442
where: short stacking energy: -21.475
Base-Backbone interact. energy: 0.312
local terms energy: -45.040339
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -80.620286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.620286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.620286 (E_RNA)
where:
Base-Base interactions energy: -26.702
where: short stacking energy: -26.702
Base-Backbone interact. energy: -0.199
local terms energy: -53.718452
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -222.008675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.008675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.008675 (E_RNA)
where:
Base-Base interactions energy: -142.540
where: short stacking energy: -69.780
Base-Backbone interact. energy: -0.160
local terms energy: -79.308960
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -223.464914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.464914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.464914 (E_RNA)
where:
Base-Base interactions energy: -146.704
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.317
local terms energy: -76.443510
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -211.706564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.706564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.706564 (E_RNA)
where:
Base-Base interactions energy: -139.452
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.054
local terms energy: -72.200156
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -196.099477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.099477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.099477 (E_RNA)
where:
Base-Base interactions energy: -127.232
where: short stacking energy: -61.300
Base-Backbone interact. energy: -0.037
local terms energy: -68.830463
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -7.883
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: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -189.411165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.411165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.411165 (E_RNA)
where:
Base-Base interactions energy: -127.486
where: short stacking energy: -52.455
Base-Backbone interact. energy: -0.025
local terms energy: -61.900761
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -179.386926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.386926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.386926 (E_RNA)
where:
Base-Base interactions energy: -112.574
where: short stacking energy: -55.188
Base-Backbone interact. energy: -0.013
local terms energy: -66.799418
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -177.028235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.028235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.028235 (E_RNA)
where:
Base-Base interactions energy: -121.226
where: short stacking energy: -50.500
Base-Backbone interact. energy: -0.012
local terms energy: -55.790458
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -85.266189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266189 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -30.856
Base-Backbone interact. energy: -0.253
local terms energy: -53.917023
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: 0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -80.663436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.663436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.663436 (E_RNA)
where:
Base-Base interactions energy: -29.778
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.123
local terms energy: -50.762381
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -80.644788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.644788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.644788 (E_RNA)
where:
Base-Base interactions energy: -38.448
where: short stacking energy: -38.448
Base-Backbone interact. energy: -0.073
local terms energy: -42.123990
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -8.125
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -222.824569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.824569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.824569 (E_RNA)
where:
Base-Base interactions energy: -144.143
where: short stacking energy: -60.574
Base-Backbone interact. energy: -0.851
local terms energy: -77.830976
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -18.303
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: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -220.718862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.718862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.718862 (E_RNA)
where:
Base-Base interactions energy: -144.297
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.946
local terms energy: -75.475550
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -12.688
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: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -187.631976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.631976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.631976 (E_RNA)
where:
Base-Base interactions energy: -121.789
where: short stacking energy: -51.397
Base-Backbone interact. energy: -0.524
local terms energy: -65.319372
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -15.504
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: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -195.639722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.639722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.639722 (E_RNA)
where:
Base-Base interactions energy: -127.505
where: short stacking energy: -50.470
Base-Backbone interact. energy: -0.100
local terms energy: -68.034027
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -14.653
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: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -185.456780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.456780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.456780 (E_RNA)
where:
Base-Base interactions energy: -117.876
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.089
local terms energy: -67.490823
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -13.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -184.034208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.034208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.034208 (E_RNA)
where:
Base-Base interactions energy: -116.527
where: short stacking energy: -50.975
Base-Backbone interact. energy: -0.050
local terms energy: -67.456622
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -178.833812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.833812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.833812 (E_RNA)
where:
Base-Base interactions energy: -115.462
where: short stacking energy: -47.982
Base-Backbone interact. energy: -1.146
local terms energy: -62.225620
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -76.871450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.871450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.871450 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -28.437
Base-Backbone interact. energy: -0.192
local terms energy: -45.177355
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: 2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -82.239069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.239069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.239069 (E_RNA)
where:
Base-Base interactions energy: -37.909
where: short stacking energy: -20.333
Base-Backbone interact. energy: -0.855
local terms energy: -43.475196
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -81.692748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.692748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.692748 (E_RNA)
where:
Base-Base interactions energy: -30.697
where: short stacking energy: -19.924
Base-Backbone interact. energy: -0.086
local terms energy: -50.910631
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -227.534554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.534554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.534554 (E_RNA)
where:
Base-Base interactions energy: -148.692
where: short stacking energy: -72.836
Base-Backbone interact. energy: -0.031
local terms energy: -78.811720
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -199.220637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.220637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.220637 (E_RNA)
where:
Base-Base interactions energy: -129.466
where: short stacking energy: -68.168
Base-Backbone interact. energy: -0.001
local terms energy: -69.754467
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -4.459
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: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -208.341795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.341795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.341795 (E_RNA)
where:
Base-Base interactions energy: -137.571
where: short stacking energy: -56.151
Base-Backbone interact. energy: -0.282
local terms energy: -70.488129
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -191.028127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.028127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.028127 (E_RNA)
where:
Base-Base interactions energy: -120.955
where: short stacking energy: -55.449
Base-Backbone interact. energy: 0.145
local terms energy: -70.218030
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -179.923387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.923387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.923387 (E_RNA)
where:
Base-Base interactions energy: -116.752
where: short stacking energy: -51.697
Base-Backbone interact. energy: -0.100
local terms energy: -63.071499
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -7.158
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: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -158.263698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.263698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.263698 (E_RNA)
where:
Base-Base interactions energy: -98.361
where: short stacking energy: -47.764
Base-Backbone interact. energy: -1.134
local terms energy: -58.769640
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -176.856912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.856912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.856912 (E_RNA)
where:
Base-Base interactions energy: -117.270
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.007
local terms energy: -59.580239
where:
bonds (distance) C4'-P energy: -4.088
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -9.657
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: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -91.652102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.652102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.652102 (E_RNA)
where:
Base-Base interactions energy: -50.396
where: short stacking energy: -17.843
Base-Backbone interact. energy: -0.347
local terms energy: -40.908566
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: 3.302
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: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -86.155289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.155289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.155289 (E_RNA)
where:
Base-Base interactions energy: -48.472
where: short stacking energy: -16.038
Base-Backbone interact. energy: 0.454
local terms energy: -38.137294
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: 8.404
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: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -86.962241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.962241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.962241 (E_RNA)
where:
Base-Base interactions energy: -39.300
where: short stacking energy: -34.830
Base-Backbone interact. energy: -0.708
local terms energy: -46.954276
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -222.580919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.580919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.580919 (E_RNA)
where:
Base-Base interactions energy: -147.399
where: short stacking energy: -66.153
Base-Backbone interact. energy: -0.100
local terms energy: -75.081616
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -8.056
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -202.142762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.142762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.142762 (E_RNA)
where:
Base-Base interactions energy: -119.285
where: short stacking energy: -54.893
Base-Backbone interact. energy: -0.204
local terms energy: -82.654060
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -11.974
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: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -204.739458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.739458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.739458 (E_RNA)
where:
Base-Base interactions energy: -138.424
where: short stacking energy: -50.653
Base-Backbone interact. energy: -0.259
local terms energy: -66.056634
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -10.816
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: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -186.419178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.419178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.419178 (E_RNA)
where:
Base-Base interactions energy: -126.561
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.015
local terms energy: -59.843437
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -16.573
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: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -181.427609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.427609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.427609 (E_RNA)
where:
Base-Base interactions energy: -114.546
where: short stacking energy: -56.503
Base-Backbone interact. energy: -0.033
local terms energy: -66.848585
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -12.397
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: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -164.627786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.627786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.627786 (E_RNA)
where:
Base-Base interactions energy: -100.924
where: short stacking energy: -42.635
Base-Backbone interact. energy: -1.030
local terms energy: -62.673683
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -179.731247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.731247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.731247 (E_RNA)
where:
Base-Base interactions energy: -115.742
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.002
local terms energy: -63.987659
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -93.757737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.757737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.757737 (E_RNA)
where:
Base-Base interactions energy: -40.212
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.162
local terms energy: -53.383731
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -5.334
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: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -115.345834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.345834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.345834 (E_RNA)
where:
Base-Base interactions energy: -66.439
where: short stacking energy: -21.858
Base-Backbone interact. energy: -0.524
local terms energy: -48.382247
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -3.024
tors. eta vs tors. theta energy: -8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -89.920105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.920105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.920105 (E_RNA)
where:
Base-Base interactions energy: -30.814
where: short stacking energy: -30.814
Base-Backbone interact. energy: 0.226
local terms energy: -59.331605
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -233.281471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.281471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.281471 (E_RNA)
where:
Base-Base interactions energy: -152.999
where: short stacking energy: -74.802
Base-Backbone interact. energy: -0.004
local terms energy: -80.279059
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -23.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -213.941877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.941877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.941877 (E_RNA)
where:
Base-Base interactions energy: -141.072
where: short stacking energy: -63.317
Base-Backbone interact. energy: -0.205
local terms energy: -72.665197
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -12.858
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: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -196.775361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.775361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.775361 (E_RNA)
where:
Base-Base interactions energy: -130.406
where: short stacking energy: -61.059
Base-Backbone interact. energy: -0.502
local terms energy: -65.867148
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -11.373
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: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -201.058419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.058419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.058419 (E_RNA)
where:
Base-Base interactions energy: -135.539
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.011
local terms energy: -65.508083
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -13.590
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: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -181.151269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.151269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.151269 (E_RNA)
where:
Base-Base interactions energy: -117.986
where: short stacking energy: -60.846
Base-Backbone interact. energy: 0.365
local terms energy: -63.529672
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -8.456
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: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -180.204645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.204645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.204645 (E_RNA)
where:
Base-Base interactions energy: -116.420
where: short stacking energy: -63.730
Base-Backbone interact. energy: 1.507
local terms energy: -65.291081
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -9.902
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -161.442033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.442033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.442033 (E_RNA)
where:
Base-Base interactions energy: -97.929
where: short stacking energy: -51.786
Base-Backbone interact. energy: -0.140
local terms energy: -63.372961
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -133.776359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.776359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.776359 (E_RNA)
where:
Base-Base interactions energy: -76.309
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.288
local terms energy: -57.179997
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -79.989315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.989315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.989315 (E_RNA)
where:
Base-Base interactions energy: -27.625
where: short stacking energy: -27.320
Base-Backbone interact. energy: -1.176
local terms energy: -51.188446
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -79.804256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.804256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.804256 (E_RNA)
where:
Base-Base interactions energy: -27.829
where: short stacking energy: -20.225
Base-Backbone interact. energy: 0.358
local terms energy: -52.333492
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -1.062
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: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -230.042118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.042118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.042118 (E_RNA)
where:
Base-Base interactions energy: -150.565
where: short stacking energy: -73.927
Base-Backbone interact. energy: -1.209
local terms energy: -78.268687
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -221.810261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.810261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.810261 (E_RNA)
where:
Base-Base interactions energy: -149.517
where: short stacking energy: -60.606
Base-Backbone interact. energy: -0.196
local terms energy: -72.096637
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -11.337
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: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -199.500540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.500540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.500540 (E_RNA)
where:
Base-Base interactions energy: -134.363
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.011
local terms energy: -65.126809
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -194.907678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.907678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.907678 (E_RNA)
where:
Base-Base interactions energy: -124.116
where: short stacking energy: -60.504
Base-Backbone interact. energy: -0.233
local terms energy: -70.559066
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -11.488
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: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -191.250933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.250933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.250933 (E_RNA)
where:
Base-Base interactions energy: -125.675
where: short stacking energy: -56.183
Base-Backbone interact. energy: -0.016
local terms energy: -65.560510
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -16.306
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: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -177.197412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.197412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.197412 (E_RNA)
where:
Base-Base interactions energy: -118.403
where: short stacking energy: -52.534
Base-Backbone interact. energy: 0.586
local terms energy: -59.379929
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -15.310
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: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -193.465431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.465431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.465431 (E_RNA)
where:
Base-Base interactions energy: -127.197
where: short stacking energy: -52.232
Base-Backbone interact. energy: 0.737
local terms energy: -67.006144
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -79.149665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.149665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.149665 (E_RNA)
where:
Base-Base interactions energy: -33.553
where: short stacking energy: -29.915
Base-Backbone interact. energy: -0.399
local terms energy: -45.197378
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -7.886
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -6.270
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: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -83.571122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.571122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.571122 (E_RNA)
where:
Base-Base interactions energy: -30.701
where: short stacking energy: -30.701
Base-Backbone interact. energy: -0.076
local terms energy: -52.794323
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -74.922696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.922696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.922696 (E_RNA)
where:
Base-Base interactions energy: -26.535
where: short stacking energy: -22.926
Base-Backbone interact. energy: -0.481
local terms energy: -47.906697
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: 2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -225.836206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.836206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.836206 (E_RNA)
where:
Base-Base interactions energy: -150.337
where: short stacking energy: -71.347
Base-Backbone interact. energy: -0.068
local terms energy: -75.431406
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -7.784
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: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -207.209218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.209218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.209218 (E_RNA)
where:
Base-Base interactions energy: -138.428
where: short stacking energy: -51.720
Base-Backbone interact. energy: -0.470
local terms energy: -68.311372
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -212.351409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.351409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.351409 (E_RNA)
where:
Base-Base interactions energy: -144.606
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.824
local terms energy: -66.922124
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -190.826718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.826718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.826718 (E_RNA)
where:
Base-Base interactions energy: -132.203
where: short stacking energy: -50.726
Base-Backbone interact. energy: 3.051
local terms energy: -61.675385
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -191.304538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.304538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.304538 (E_RNA)
where:
Base-Base interactions energy: -121.890
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.033
local terms energy: -69.381693
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -206.355758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.355758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.355758 (E_RNA)
where:
Base-Base interactions energy: -136.882
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.017
local terms energy: -69.457288
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -13.735
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: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -177.695116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.695116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.695116 (E_RNA)
where:
Base-Base interactions energy: -111.590
where: short stacking energy: -56.594
Base-Backbone interact. energy: -0.129
local terms energy: -65.975800
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -88.225584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.225584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.225584 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -31.064
Base-Backbone interact. energy: -0.103
local terms energy: -57.059373
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -78.224936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.224936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.224936 (E_RNA)
where:
Base-Base interactions energy: -26.151
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.075
local terms energy: -51.999711
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -6.166
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -78.607471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.607471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.607471 (E_RNA)
where:
Base-Base interactions energy: -37.741
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.083
local terms energy: -40.783358
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -9.177
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -0.769
tors. eta vs tors. theta energy: -6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -231.676945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.676945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.676945 (E_RNA)
where:
Base-Base interactions energy: -155.856
where: short stacking energy: -75.829
Base-Backbone interact. energy: -0.156
local terms energy: -75.664945
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -202.879093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.879093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.879093 (E_RNA)
where:
Base-Base interactions energy: -136.753
where: short stacking energy: -56.497
Base-Backbone interact. energy: -0.437
local terms energy: -65.689112
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -12.270
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: 252
Temperature: 1.000000
Total energy: -222.132499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.132499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.132499 (E_RNA)
where:
Base-Base interactions energy: -155.510
where: short stacking energy: -62.959
Base-Backbone interact. energy: -0.331
local terms energy: -66.292137
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -185.142721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.142721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.142721 (E_RNA)
where:
Base-Base interactions energy: -118.793
where: short stacking energy: -59.737
Base-Backbone interact. energy: -0.002
local terms energy: -66.347196
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -183.106456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.106456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.106456 (E_RNA)
where:
Base-Base interactions energy: -121.902
where: short stacking energy: -47.668
Base-Backbone interact. energy: -0.011
local terms energy: -61.193200
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -194.722037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.722037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.722037 (E_RNA)
where:
Base-Base interactions energy: -123.905
where: short stacking energy: -52.136
Base-Backbone interact. energy: -0.015
local terms energy: -70.802477
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -16.802
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: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -88.105725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.105725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.105725 (E_RNA)
where:
Base-Base interactions energy: -31.109
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.565
local terms energy: -56.431643
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -8.322
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: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -87.475753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.475753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.475753 (E_RNA)
where:
Base-Base interactions energy: -31.658
where: short stacking energy: -31.658
Base-Backbone interact. energy: -0.626
local terms energy: -55.191784
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -6.790
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: 252
Temperature: 1.300000
Total energy: -84.847210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.847210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.847210 (E_RNA)
where:
Base-Base interactions energy: -39.390
where: short stacking energy: -39.390
Base-Backbone interact. energy: -0.357
local terms energy: -45.100527
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -3.361
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: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -82.483958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.483958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.483958 (E_RNA)
where:
Base-Base interactions energy: -39.860
where: short stacking energy: -23.102
Base-Backbone interact. energy: -0.279
local terms energy: -42.345365
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: 5.844
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: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -226.563491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.563491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.563491 (E_RNA)
where:
Base-Base interactions energy: -151.763
where: short stacking energy: -68.813
Base-Backbone interact. energy: -0.002
local terms energy: -74.799020
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -225.299223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.299223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.299223 (E_RNA)
where:
Base-Base interactions energy: -146.317
where: short stacking energy: -70.739
Base-Backbone interact. energy: -0.369
local terms energy: -78.612970
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -12.436
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: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -190.820312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.820312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.820312 (E_RNA)
where:
Base-Base interactions energy: -121.129
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.104
local terms energy: -69.587336
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -198.509320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.509320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.509320 (E_RNA)
where:
Base-Base interactions energy: -128.981
where: short stacking energy: -60.620
Base-Backbone interact. energy: -0.010
local terms energy: -69.518644
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -11.086
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: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -194.953063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.953063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.953063 (E_RNA)
where:
Base-Base interactions energy: -125.657
where: short stacking energy: -62.906
Base-Backbone interact. energy: 0.380
local terms energy: -69.675239
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -190.660722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.660722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.660722 (E_RNA)
where:
Base-Base interactions energy: -121.814
where: short stacking energy: -42.349
Base-Backbone interact. energy: -0.134
local terms energy: -68.712773
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -84.132615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.132615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.132615 (E_RNA)
where:
Base-Base interactions energy: -30.614
where: short stacking energy: -28.689
Base-Backbone interact. energy: -0.178
local terms energy: -53.340816
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -83.633549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.633549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.633549 (E_RNA)
where:
Base-Base interactions energy: -41.763
where: short stacking energy: -31.738
Base-Backbone interact. energy: -0.341
local terms energy: -41.529336
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -9.093
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -76.448933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.448933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.448933 (E_RNA)
where:
Base-Base interactions energy: -34.602
where: short stacking energy: -21.461
Base-Backbone interact. energy: -0.439
local terms energy: -41.408321
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: 1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -80.901032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.901032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.901032 (E_RNA)
where:
Base-Base interactions energy: -31.507
where: short stacking energy: -31.507
Base-Backbone interact. energy: -0.100
local terms energy: -49.294331
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -222.383967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.383967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.383967 (E_RNA)
where:
Base-Base interactions energy: -155.731
where: short stacking energy: -64.136
Base-Backbone interact. energy: 0.886
local terms energy: -67.538232
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -14.388
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: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -226.530106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.530106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.530106 (E_RNA)
where:
Base-Base interactions energy: -151.159
where: short stacking energy: -66.593
Base-Backbone interact. energy: 0.473
local terms energy: -75.844108
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.343
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: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -192.624718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.624718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.624718 (E_RNA)
where:
Base-Base interactions energy: -124.517
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.016
local terms energy: -68.092307
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -186.095056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.095056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.095056 (E_RNA)
where:
Base-Base interactions energy: -119.934
where: short stacking energy: -55.678
Base-Backbone interact. energy: -0.163
local terms energy: -65.998632
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -184.591463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.591463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.591463 (E_RNA)
where:
Base-Base interactions energy: -122.478
where: short stacking energy: -57.760
Base-Backbone interact. energy: -0.003
local terms energy: -62.110529
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -186.377319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.377319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.377319 (E_RNA)
where:
Base-Base interactions energy: -115.534
where: short stacking energy: -57.038
Base-Backbone interact. energy: 1.047
local terms energy: -71.890557
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -10.743
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: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -86.467278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.467278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.467278 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -26.118
Base-Backbone interact. energy: -2.007
local terms energy: -46.839278
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: 2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -85.400600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.400600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.400600 (E_RNA)
where:
Base-Base interactions energy: -40.165
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.259
local terms energy: -44.976322
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -7.333
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -0.964
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: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -86.901440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901440 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -30.244
Base-Backbone interact. energy: 0.856
local terms energy: -57.528446
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -78.205181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.205181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.205181 (E_RNA)
where:
Base-Base interactions energy: -29.590
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.198
local terms energy: -48.417263
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -227.542219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.542219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.542219 (E_RNA)
where:
Base-Base interactions energy: -149.430
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.111
local terms energy: -78.000722
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -226.276776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.276776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.276776 (E_RNA)
where:
Base-Base interactions energy: -147.139
where: short stacking energy: -67.032
Base-Backbone interact. energy: -0.025
local terms energy: -79.111960
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -193.075307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.075307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.075307 (E_RNA)
where:
Base-Base interactions energy: -125.458
where: short stacking energy: -57.657
Base-Backbone interact. energy: -0.080
local terms energy: -67.536995
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -13.030
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: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -185.704792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.704792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.704792 (E_RNA)
where:
Base-Base interactions energy: -117.060
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.815
local terms energy: -67.829350
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -192.865258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.865258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.865258 (E_RNA)
where:
Base-Base interactions energy: -126.754
where: short stacking energy: -58.634
Base-Backbone interact. energy: -0.009
local terms energy: -66.102305
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -174.713620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.713620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.713620 (E_RNA)
where:
Base-Base interactions energy: -109.161
where: short stacking energy: -49.574
Base-Backbone interact. energy: 0.203
local terms energy: -65.755748
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -103.910590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.910590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.910590 (E_RNA)
where:
Base-Base interactions energy: -54.920
where: short stacking energy: -27.243
Base-Backbone interact. energy: -0.108
local terms energy: -48.882859
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -7.195
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -1.627
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: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -91.625898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.625898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.625898 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.129
local terms energy: -52.525244
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -99.097863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.097863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.097863 (E_RNA)
where:
Base-Base interactions energy: -41.340
where: short stacking energy: -41.940
Base-Backbone interact. energy: -0.012
local terms energy: -57.745745
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -91.426071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.426071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.426071 (E_RNA)
where:
Base-Base interactions energy: -42.148
where: short stacking energy: -19.977
Base-Backbone interact. energy: -0.903
local terms energy: -48.375665
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -8.297
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -231.243819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.243819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.243819 (E_RNA)
where:
Base-Base interactions energy: -158.488
where: short stacking energy: -69.819
Base-Backbone interact. energy: -0.426
local terms energy: -72.329860
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.314
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: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -230.543711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.543711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.543711 (E_RNA)
where:
Base-Base interactions energy: -153.366
where: short stacking energy: -74.301
Base-Backbone interact. energy: -0.001
local terms energy: -77.176840
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -12.572
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: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -184.870393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.870393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.870393 (E_RNA)
where:
Base-Base interactions energy: -121.510
where: short stacking energy: -57.148
Base-Backbone interact. energy: -0.723
local terms energy: -62.637193
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -11.546
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -195.428119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.428119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.428119 (E_RNA)
where:
Base-Base interactions energy: -125.535
where: short stacking energy: -60.370
Base-Backbone interact. energy: 1.006
local terms energy: -70.899351
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -13.001
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: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -182.944025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.944025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.944025 (E_RNA)
where:
Base-Base interactions energy: -121.981
where: short stacking energy: -59.756
Base-Backbone interact. energy: 0.028
local terms energy: -60.990700
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -180.898607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.898607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.898607 (E_RNA)
where:
Base-Base interactions energy: -113.412
where: short stacking energy: -56.223
Base-Backbone interact. energy: -0.069
local terms energy: -67.417684
where:
bonds (distance) C4'-P energy: -7.021
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -8.200
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: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -92.635873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.635873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.635873 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -26.434
Base-Backbone interact. energy: -0.546
local terms energy: -52.428912
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -1.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -85.669026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.669026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.669026 (E_RNA)
where:
Base-Base interactions energy: -40.141
where: short stacking energy: -28.988
Base-Backbone interact. energy: -0.018
local terms energy: -45.510703
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -101.011490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.011490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.011490 (E_RNA)
where:
Base-Base interactions energy: -58.492
where: short stacking energy: -28.997
Base-Backbone interact. energy: -2.755
local terms energy: -39.764206
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -2.241
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -85.868070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.868070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.868070 (E_RNA)
where:
Base-Base interactions energy: -35.686
where: short stacking energy: -19.574
Base-Backbone interact. energy: -0.048
local terms energy: -50.133289
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -2.209
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: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -217.319225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.319225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.319225 (E_RNA)
where:
Base-Base interactions energy: -152.188
where: short stacking energy: -53.840
Base-Backbone interact. energy: -0.296
local terms energy: -64.835328
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -230.079649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.079649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.079649 (E_RNA)
where:
Base-Base interactions energy: -148.430
where: short stacking energy: -78.433
Base-Backbone interact. energy: -0.003
local terms energy: -81.646914
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -22.601
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: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -189.811463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.811463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.811463 (E_RNA)
where:
Base-Base interactions energy: -119.794
where: short stacking energy: -59.948
Base-Backbone interact. energy: 0.171
local terms energy: -70.188384
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -189.459865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.459865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.459865 (E_RNA)
where:
Base-Base interactions energy: -122.504
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.055
local terms energy: -66.900738
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -194.404437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.404437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.404437 (E_RNA)
where:
Base-Base interactions energy: -117.658
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.097
local terms energy: -76.648784
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -10.519
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: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -185.488886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.488886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.488886 (E_RNA)
where:
Base-Base interactions energy: -124.248
where: short stacking energy: -61.551
Base-Backbone interact. energy: -0.135
local terms energy: -61.105230
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -15.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -88.094954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.094954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.094954 (E_RNA)
where:
Base-Base interactions energy: -37.956
where: short stacking energy: -28.052
Base-Backbone interact. energy: -0.334
local terms energy: -49.804667
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: 1.601
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: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -88.912322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.912322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.912322 (E_RNA)
where:
Base-Base interactions energy: -36.472
where: short stacking energy: -36.472
Base-Backbone interact. energy: -0.118
local terms energy: -52.322877
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -102.169626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.169626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.169626 (E_RNA)
where:
Base-Base interactions energy: -52.914
where: short stacking energy: -30.983
Base-Backbone interact. energy: -0.881
local terms energy: -48.373744
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -93.041813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.041813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.041813 (E_RNA)
where:
Base-Base interactions energy: -43.792
where: short stacking energy: -33.688
Base-Backbone interact. energy: -0.098
local terms energy: -49.152270
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -6.995
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -7.024
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: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -235.811212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.811212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.811212 (E_RNA)
where:
Base-Base interactions energy: -153.689
where: short stacking energy: -79.044
Base-Backbone interact. energy: -0.006
local terms energy: -82.116024
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -13.106
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: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -222.611222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.611222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.611222 (E_RNA)
where:
Base-Base interactions energy: -152.632
where: short stacking energy: -61.444
Base-Backbone interact. energy: -0.436
local terms energy: -69.542784
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -195.791858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.791858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.791858 (E_RNA)
where:
Base-Base interactions energy: -119.592
where: short stacking energy: -53.640
Base-Backbone interact. energy: -0.101
local terms energy: -76.099305
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -11.594
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: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -193.740511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.740511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.740511 (E_RNA)
where:
Base-Base interactions energy: -127.573
where: short stacking energy: -61.069
Base-Backbone interact. energy: 1.114
local terms energy: -67.281045
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -176.588362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.588362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.588362 (E_RNA)
where:
Base-Base interactions energy: -106.966
where: short stacking energy: -51.002
Base-Backbone interact. energy: -0.101
local terms energy: -69.521369
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -12.729
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: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -197.502105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.502105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.502105 (E_RNA)
where:
Base-Base interactions energy: -126.479
where: short stacking energy: -64.279
Base-Backbone interact. energy: 3.546
local terms energy: -74.568991
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -11.118
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: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -94.431963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.431963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.431963 (E_RNA)
where:
Base-Base interactions energy: -37.719
where: short stacking energy: -37.719
Base-Backbone interact. energy: -0.102
local terms energy: -56.610480
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -84.454933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.454933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.454933 (E_RNA)
where:
Base-Base interactions energy: -24.598
where: short stacking energy: -24.598
Base-Backbone interact. energy: -0.458
local terms energy: -59.398446
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -77.301022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.301022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.301022 (E_RNA)
where:
Base-Base interactions energy: -30.957
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.183
local terms energy: -46.160758
where:
bonds (distance) C4'-P energy: -8.319
bonds (distance) P-C4' energy: -10.252
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -6.144
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: 258
Temperature: 1.350000
Total energy: -77.562373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.562373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.562373 (E_RNA)
where:
Base-Base interactions energy: -25.437
where: short stacking energy: -23.621
Base-Backbone interact. energy: -0.126
local terms energy: -51.998634
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -223.940091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.940091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.940091 (E_RNA)
where:
Base-Base interactions energy: -148.051
where: short stacking energy: -71.162
Base-Backbone interact. energy: -0.758
local terms energy: -75.130650
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -199.410707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.410707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.410707 (E_RNA)
where:
Base-Base interactions energy: -122.750
where: short stacking energy: -66.642
Base-Backbone interact. energy: -0.014
local terms energy: -76.646077
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -219.500340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.500340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.500340 (E_RNA)
where:
Base-Base interactions energy: -144.283
where: short stacking energy: -64.954
Base-Backbone interact. energy: -1.011
local terms energy: -74.206381
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -185.547169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.547169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.547169 (E_RNA)
where:
Base-Base interactions energy: -114.687
where: short stacking energy: -45.291
Base-Backbone interact. energy: -0.047
local terms energy: -70.814077
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -191.089226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.089226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.089226 (E_RNA)
where:
Base-Base interactions energy: -121.799
where: short stacking energy: -59.564
Base-Backbone interact. energy: 0.466
local terms energy: -69.756502
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -183.251427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.251427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.251427 (E_RNA)
where:
Base-Base interactions energy: -113.599
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.315
local terms energy: -69.337328
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -117.914601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.914601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.914601 (E_RNA)
where:
Base-Base interactions energy: -59.591
where: short stacking energy: -31.841
Base-Backbone interact. energy: -0.246
local terms energy: -58.077568
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -8.953
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: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -88.948127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.948127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.948127 (E_RNA)
where:
Base-Base interactions energy: -44.543
where: short stacking energy: -22.937
Base-Backbone interact. energy: -0.550
local terms energy: -43.855916
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -84.907429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.907429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.907429 (E_RNA)
where:
Base-Base interactions energy: -36.866
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.420
local terms energy: -47.621790
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -5.434
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: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -85.160922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.160922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.160922 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -37.501
Base-Backbone interact. energy: -0.228
local terms energy: -46.795710
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -233.023270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.023270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.023270 (E_RNA)
where:
Base-Base interactions energy: -150.507
where: short stacking energy: -84.364
Base-Backbone interact. energy: -0.002
local terms energy: -82.514199
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.981
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: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -204.191364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.191364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.191364 (E_RNA)
where:
Base-Base interactions energy: -132.735
where: short stacking energy: -68.663
Base-Backbone interact. energy: -0.001
local terms energy: -71.454890
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.245
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: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -213.851496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.851496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.851496 (E_RNA)
where:
Base-Base interactions energy: -138.041
where: short stacking energy: -61.642
Base-Backbone interact. energy: -0.608
local terms energy: -75.202637
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -14.794
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: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -186.481463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.481463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.481463 (E_RNA)
where:
Base-Base interactions energy: -114.338
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.047
local terms energy: -72.096667
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -193.362721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.362721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.362721 (E_RNA)
where:
Base-Base interactions energy: -131.397
where: short stacking energy: -70.992
Base-Backbone interact. energy: -0.872
local terms energy: -61.093981
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -7.659
flat angles P-C4'-P energy: -5.382
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: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -177.464411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.464411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.464411 (E_RNA)
where:
Base-Base interactions energy: -120.638
where: short stacking energy: -53.264
Base-Backbone interact. energy: -0.233
local terms energy: -56.593580
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -97.119546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.119546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.119546 (E_RNA)
where:
Base-Base interactions energy: -47.072
where: short stacking energy: -45.905
Base-Backbone interact. energy: -0.033
local terms energy: -50.014401
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -11.793
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: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -115.885577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.885577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.885577 (E_RNA)
where:
Base-Base interactions energy: -66.419
where: short stacking energy: -34.580
Base-Backbone interact. energy: -0.178
local terms energy: -49.288305
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -95.408844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.408844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.408844 (E_RNA)
where:
Base-Base interactions energy: -43.299
where: short stacking energy: -34.467
Base-Backbone interact. energy: 1.046
local terms energy: -53.155979
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.085
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: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -84.875235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.875235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.875235 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -28.874
Base-Backbone interact. energy: 0.426
local terms energy: -43.999132
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -2.430
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: 261
Temperature: 0.900000
Total energy: -231.617971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.617971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.617971 (E_RNA)
where:
Base-Base interactions energy: -149.766
where: short stacking energy: -72.185
Base-Backbone interact. energy: -0.001
local terms energy: -81.851711
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -201.224684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.224684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.224684 (E_RNA)
where:
Base-Base interactions energy: -132.828
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.137
local terms energy: -68.258808
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -198.467355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.467355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.467355 (E_RNA)
where:
Base-Base interactions energy: -134.120
where: short stacking energy: -59.926
Base-Backbone interact. energy: -0.329
local terms energy: -64.019044
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -194.332643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.332643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.332643 (E_RNA)
where:
Base-Base interactions energy: -132.746
where: short stacking energy: -50.844
Base-Backbone interact. energy: -1.132
local terms energy: -60.454407
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -9.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -184.019070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.019070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.019070 (E_RNA)
where:
Base-Base interactions energy: -113.615
where: short stacking energy: -55.771
Base-Backbone interact. energy: -0.045
local terms energy: -70.359108
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -172.790797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.790797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.790797 (E_RNA)
where:
Base-Base interactions energy: -106.026
where: short stacking energy: -44.883
Base-Backbone interact. energy: -0.119
local terms energy: -66.645943
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -14.365
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: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -105.381511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.381511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.381511 (E_RNA)
where:
Base-Base interactions energy: -42.169
where: short stacking energy: -42.169
Base-Backbone interact. energy: -0.012
local terms energy: -63.200469
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -6.233
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: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -91.275319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.275319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.275319 (E_RNA)
where:
Base-Base interactions energy: -32.499
where: short stacking energy: -22.891
Base-Backbone interact. energy: -0.213
local terms energy: -58.563683
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -89.224458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.224458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.224458 (E_RNA)
where:
Base-Base interactions energy: -31.439
where: short stacking energy: -31.439
Base-Backbone interact. energy: -0.258
local terms energy: -57.527503
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -78.878026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.878026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.878026 (E_RNA)
where:
Base-Base interactions energy: -25.278
where: short stacking energy: -24.851
Base-Backbone interact. energy: -0.451
local terms energy: -53.149283
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -230.791284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.791284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.791284 (E_RNA)
where:
Base-Base interactions energy: -153.807
where: short stacking energy: -72.809
Base-Backbone interact. energy: -0.001
local terms energy: -76.983617
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -22.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -195.767544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.767544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.767544 (E_RNA)
where:
Base-Base interactions energy: -127.356
where: short stacking energy: -52.553
Base-Backbone interact. energy: -0.085
local terms energy: -68.326207
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -214.135585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.135585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.135585 (E_RNA)
where:
Base-Base interactions energy: -145.810
where: short stacking energy: -63.342
Base-Backbone interact. energy: -1.027
local terms energy: -67.299128
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.465
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: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -190.440592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.440592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.440592 (E_RNA)
where:
Base-Base interactions energy: -122.573
where: short stacking energy: -54.458
Base-Backbone interact. energy: -0.544
local terms energy: -67.323440
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -180.740875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.740875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.740875 (E_RNA)
where:
Base-Base interactions energy: -117.602
where: short stacking energy: -47.708
Base-Backbone interact. energy: -0.518
local terms energy: -62.620223
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -180.066029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.066029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.066029 (E_RNA)
where:
Base-Base interactions energy: -120.528
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.040
local terms energy: -59.498234
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -92.273055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.273055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.273055 (E_RNA)
where:
Base-Base interactions energy: -41.571
where: short stacking energy: -25.277
Base-Backbone interact. energy: -0.190
local terms energy: -50.512208
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -88.834948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.834948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.834948 (E_RNA)
where:
Base-Base interactions energy: -47.744
where: short stacking energy: -29.325
Base-Backbone interact. energy: -0.468
local terms energy: -40.622281
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -8.668
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: 0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -100.477527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.477527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.477527 (E_RNA)
where:
Base-Base interactions energy: -43.030
where: short stacking energy: -34.512
Base-Backbone interact. energy: -0.010
local terms energy: -57.437505
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -78.799476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.799476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.799476 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -22.796
Base-Backbone interact. energy: -0.063
local terms energy: -42.439487
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -9.297
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -227.559271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.559271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.559271 (E_RNA)
where:
Base-Base interactions energy: -157.141
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.033
local terms energy: -70.385540
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -213.280319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.280319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.280319 (E_RNA)
where:
Base-Base interactions energy: -149.603
where: short stacking energy: -66.792
Base-Backbone interact. energy: 0.208
local terms energy: -63.885535
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -12.515
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: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -201.610248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.610248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.610248 (E_RNA)
where:
Base-Base interactions energy: -131.401
where: short stacking energy: -62.556
Base-Backbone interact. energy: -0.366
local terms energy: -69.843156
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -17.540
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: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -188.112413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.112413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.112413 (E_RNA)
where:
Base-Base interactions energy: -119.890
where: short stacking energy: -54.912
Base-Backbone interact. energy: -0.011
local terms energy: -68.211200
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -183.889021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.889021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.889021 (E_RNA)
where:
Base-Base interactions energy: -112.158
where: short stacking energy: -48.973
Base-Backbone interact. energy: -0.111
local terms energy: -71.620441
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -179.022154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.022154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.022154 (E_RNA)
where:
Base-Base interactions energy: -105.928
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.004
local terms energy: -73.090817
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -84.677323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.677323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.677323 (E_RNA)
where:
Base-Base interactions energy: -33.464
where: short stacking energy: -29.039
Base-Backbone interact. energy: -0.304
local terms energy: -50.909281
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -98.897313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.897313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.897313 (E_RNA)
where:
Base-Base interactions energy: -48.836
where: short stacking energy: -48.836
Base-Backbone interact. energy: -0.022
local terms energy: -50.039805
where:
bonds (distance) C4'-P energy: -6.430
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -84.580317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.580317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.580317 (E_RNA)
where:
Base-Base interactions energy: -40.374
where: short stacking energy: -37.064
Base-Backbone interact. energy: 0.427
local terms energy: -44.632650
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -1.305
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: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -85.290423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.290423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.290423 (E_RNA)
where:
Base-Base interactions energy: -28.344
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.210
local terms energy: -56.736016
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -229.809104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.809104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.809104 (E_RNA)
where:
Base-Base interactions energy: -152.258
where: short stacking energy: -75.862
Base-Backbone interact. energy: -0.599
local terms energy: -76.951570
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -217.097816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.097816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.097816 (E_RNA)
where:
Base-Base interactions energy: -145.346
where: short stacking energy: -59.057
Base-Backbone interact. energy: -0.222
local terms energy: -71.530158
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -192.878624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.878624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.878624 (E_RNA)
where:
Base-Base interactions energy: -123.178
where: short stacking energy: -64.963
Base-Backbone interact. energy: 0.372
local terms energy: -70.072127
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -10.779
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: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -193.996042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.996042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.996042 (E_RNA)
where:
Base-Base interactions energy: -121.209
where: short stacking energy: -60.311
Base-Backbone interact. energy: -0.002
local terms energy: -72.785730
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -9.620
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: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -179.147154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.147154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.147154 (E_RNA)
where:
Base-Base interactions energy: -117.186
where: short stacking energy: -47.904
Base-Backbone interact. energy: -0.173
local terms energy: -61.787841
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -180.325026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.325026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.325026 (E_RNA)
where:
Base-Base interactions energy: -115.918
where: short stacking energy: -55.304
Base-Backbone interact. energy: -0.096
local terms energy: -64.311455
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -7.384
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: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -113.585761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.585761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.585761 (E_RNA)
where:
Base-Base interactions energy: -53.745
where: short stacking energy: -49.316
Base-Backbone interact. energy: -0.028
local terms energy: -59.813017
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -6.877
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: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -88.731779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.731779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.731779 (E_RNA)
where:
Base-Base interactions energy: -28.500
where: short stacking energy: -28.500
Base-Backbone interact. energy: -0.023
local terms energy: -60.208020
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -75.857431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.857431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.857431 (E_RNA)
where:
Base-Base interactions energy: -31.312
where: short stacking energy: -15.365
Base-Backbone interact. energy: -1.270
local terms energy: -43.275181
where:
bonds (distance) C4'-P energy: -7.571
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: 1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -85.592722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.592722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.592722 (E_RNA)
where:
Base-Base interactions energy: -39.593
where: short stacking energy: -32.850
Base-Backbone interact. energy: -0.023
local terms energy: -45.977134
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -0.964
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: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -231.511534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.511534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.511534 (E_RNA)
where:
Base-Base interactions energy: -150.379
where: short stacking energy: -68.076
Base-Backbone interact. energy: -0.015
local terms energy: -81.117601
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -23.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -195.656296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.656296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.656296 (E_RNA)
where:
Base-Base interactions energy: -127.632
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.001
local terms energy: -68.022850
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -4.668
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: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -198.590176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.590176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.590176 (E_RNA)
where:
Base-Base interactions energy: -129.364
where: short stacking energy: -58.254
Base-Backbone interact. energy: -0.139
local terms energy: -69.087780
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -192.507653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.507653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.507653 (E_RNA)
where:
Base-Base interactions energy: -126.720
where: short stacking energy: -52.192
Base-Backbone interact. energy: -0.117
local terms energy: -65.670811
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -12.175
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: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -190.462569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.462569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.462569 (E_RNA)
where:
Base-Base interactions energy: -122.492
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.004
local terms energy: -67.967221
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -18.294
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: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -176.175570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.175570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.175570 (E_RNA)
where:
Base-Base interactions energy: -112.947
where: short stacking energy: -51.914
Base-Backbone interact. energy: 0.461
local terms energy: -63.689265
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -10.117
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -88.122136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.122136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.122136 (E_RNA)
where:
Base-Base interactions energy: -36.787
where: short stacking energy: -30.387
Base-Backbone interact. energy: 1.041
local terms energy: -52.375565
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -8.044
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -101.793805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.793805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.793805 (E_RNA)
where:
Base-Base interactions energy: -49.885
where: short stacking energy: -20.787
Base-Backbone interact. energy: -0.722
local terms energy: -51.186693
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: 2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -82.781574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.781574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.781574 (E_RNA)
where:
Base-Base interactions energy: -23.602
where: short stacking energy: -23.602
Base-Backbone interact. energy: -0.052
local terms energy: -59.127438
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -7.259
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -8.505
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: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -76.354551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.354551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.354551 (E_RNA)
where:
Base-Base interactions energy: -38.545
where: short stacking energy: -25.053
Base-Backbone interact. energy: -1.112
local terms energy: -36.697683
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: 3.836
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: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -230.641549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.641549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.641549 (E_RNA)
where:
Base-Base interactions energy: -157.629
where: short stacking energy: -73.175
Base-Backbone interact. energy: -0.005
local terms energy: -73.007491
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -189.882283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.882283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.882283 (E_RNA)
where:
Base-Base interactions energy: -131.657
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.080
local terms energy: -58.145367
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -208.850423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.850423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.850423 (E_RNA)
where:
Base-Base interactions energy: -136.809
where: short stacking energy: -58.764
Base-Backbone interact. energy: -0.892
local terms energy: -71.149323
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -15.239
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: 266
Temperature: 1.050000
Total energy: -185.410556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.410556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.410556 (E_RNA)
where:
Base-Base interactions energy: -118.629
where: short stacking energy: -52.811
Base-Backbone interact. energy: -0.153
local terms energy: -66.628506
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -6.326
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: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -191.328095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.328095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.328095 (E_RNA)
where:
Base-Base interactions energy: -128.180
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.214
local terms energy: -62.934064
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -6.358
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: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -171.909113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.909113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.909113 (E_RNA)
where:
Base-Base interactions energy: -107.142
where: short stacking energy: -51.969
Base-Backbone interact. energy: -0.002
local terms energy: -64.765055
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -110.563003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.563003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.563003 (E_RNA)
where:
Base-Base interactions energy: -53.312
where: short stacking energy: -42.729
Base-Backbone interact. energy: -0.131
local terms energy: -57.119785
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -11.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -79.141800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.141800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.141800 (E_RNA)
where:
Base-Base interactions energy: -38.470
where: short stacking energy: -14.971
Base-Backbone interact. energy: -0.963
local terms energy: -39.708915
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: 2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -96.297899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.297899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.297899 (E_RNA)
where:
Base-Base interactions energy: -40.681
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.032
local terms energy: -55.585615
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -78.675958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.675958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.675958 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -30.234
Base-Backbone interact. energy: -0.438
local terms energy: -43.164317
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -2.174
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -234.247554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.247554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.247554 (E_RNA)
where:
Base-Base interactions energy: -156.442
where: short stacking energy: -74.449
Base-Backbone interact. energy: -0.001
local terms energy: -77.804021
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -10.450
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: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -209.751551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.751551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.751551 (E_RNA)
where:
Base-Base interactions energy: -143.813
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.603
local terms energy: -65.335250
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -15.580
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: 8
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -198.248114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.248114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.248114 (E_RNA)
where:
Base-Base interactions energy: -126.862
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.377
local terms energy: -71.008312
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -4.282
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: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -189.214651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.214651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.214651 (E_RNA)
where:
Base-Base interactions energy: -124.309
where: short stacking energy: -57.802
Base-Backbone interact. energy: -0.410
local terms energy: -64.495058
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -178.689103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.689103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.689103 (E_RNA)
where:
Base-Base interactions energy: -117.295
where: short stacking energy: -56.862
Base-Backbone interact. energy: -0.002
local terms energy: -61.391957
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -17.534
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: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -169.910020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.910020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.910020 (E_RNA)
where:
Base-Base interactions energy: -111.166
where: short stacking energy: -48.238
Base-Backbone interact. energy: 0.693
local terms energy: -59.436679
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -95.968474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.968474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.968474 (E_RNA)
where:
Base-Base interactions energy: -33.583
where: short stacking energy: -27.732
Base-Backbone interact. energy: -0.051
local terms energy: -62.334216
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -88.833005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.833005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.833005 (E_RNA)
where:
Base-Base interactions energy: -42.243
where: short stacking energy: -29.135
Base-Backbone interact. energy: -0.074
local terms energy: -46.516294
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -82.918833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.918833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.918833 (E_RNA)
where:
Base-Base interactions energy: -37.293
where: short stacking energy: -30.179
Base-Backbone interact. energy: -0.115
local terms energy: -45.511397
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -75.692163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.692163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.692163 (E_RNA)
where:
Base-Base interactions energy: -35.814
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.032
local terms energy: -39.845608
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -6.134
flat angles P-C4'-P energy: -9.655
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: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -234.742116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.742116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.742116 (E_RNA)
where:
Base-Base interactions energy: -154.688
where: short stacking energy: -80.181
Base-Backbone interact. energy: -0.001
local terms energy: -80.053398
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -23.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -219.674866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.674866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.674866 (E_RNA)
where:
Base-Base interactions energy: -149.852
where: short stacking energy: -69.112
Base-Backbone interact. energy: -0.470
local terms energy: -69.353600
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -13.339
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: 268
Temperature: 1.000000
Total energy: -196.136162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.136162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.136162 (E_RNA)
where:
Base-Base interactions energy: -121.042
where: short stacking energy: -64.501
Base-Backbone interact. energy: -0.587
local terms energy: -74.506628
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -9.837
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: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -184.427000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.427000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.427000 (E_RNA)
where:
Base-Base interactions energy: -118.094
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.070
local terms energy: -66.263459
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -188.513153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.513153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.513153 (E_RNA)
where:
Base-Base interactions energy: -120.873
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.042
local terms energy: -67.597796
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -178.334903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.334903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.334903 (E_RNA)
where:
Base-Base interactions energy: -108.541
where: short stacking energy: -49.508
Base-Backbone interact. energy: -0.151
local terms energy: -69.642587
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -87.566105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.566105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.566105 (E_RNA)
where:
Base-Base interactions energy: -27.261
where: short stacking energy: -26.029
Base-Backbone interact. energy: -0.361
local terms energy: -59.943921
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -8.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -92.287186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.287186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.287186 (E_RNA)
where:
Base-Base interactions energy: -37.255
where: short stacking energy: -34.104
Base-Backbone interact. energy: 0.721
local terms energy: -55.753771
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -7.455
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: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -82.954725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.954725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.954725 (E_RNA)
where:
Base-Base interactions energy: -35.670
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.186
local terms energy: -47.098205
where:
bonds (distance) C4'-P energy: -7.440
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -6.951
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: 268
Temperature: 1.350000
Total energy: -76.784746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.784746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.784746 (E_RNA)
where:
Base-Base interactions energy: -33.363
where: short stacking energy: -25.469
Base-Backbone interact. energy: -0.102
local terms energy: -43.320550
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -0.920
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -235.285238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.285238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.285238 (E_RNA)
where:
Base-Base interactions energy: -157.514
where: short stacking energy: -79.579
Base-Backbone interact. energy: -0.001
local terms energy: -77.769941
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -12.035
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: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -202.754853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.754853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.754853 (E_RNA)
where:
Base-Base interactions energy: -135.545
where: short stacking energy: -62.618
Base-Backbone interact. energy: -0.501
local terms energy: -66.709252
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -7.027
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: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -208.507530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.507530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.507530 (E_RNA)
where:
Base-Base interactions energy: -132.504
where: short stacking energy: -55.345
Base-Backbone interact. energy: -0.676
local terms energy: -75.327246
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -16.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -190.515130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.515130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.515130 (E_RNA)
where:
Base-Base interactions energy: -128.527
where: short stacking energy: -58.350
Base-Backbone interact. energy: -0.217
local terms energy: -61.771593
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -179.678585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.678585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.678585 (E_RNA)
where:
Base-Base interactions energy: -118.844
where: short stacking energy: -53.262
Base-Backbone interact. energy: -0.029
local terms energy: -60.805205
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -180.912438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.912438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.912438 (E_RNA)
where:
Base-Base interactions energy: -113.805
where: short stacking energy: -59.642
Base-Backbone interact. energy: -0.009
local terms energy: -67.098406
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -91.214775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.214775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.214775 (E_RNA)
where:
Base-Base interactions energy: -43.589
where: short stacking energy: -37.872
Base-Backbone interact. energy: -0.024
local terms energy: -47.601355
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -104.779362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.779362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.779362 (E_RNA)
where:
Base-Base interactions energy: -51.374
where: short stacking energy: -45.649
Base-Backbone interact. energy: -0.033
local terms energy: -53.372487
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -75.487321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.487321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.487321 (E_RNA)
where:
Base-Base interactions energy: -26.946
where: short stacking energy: -21.546
Base-Backbone interact. energy: -0.102
local terms energy: -48.439086
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: 0.158
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: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -77.686509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.686509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.686509 (E_RNA)
where:
Base-Base interactions energy: -43.925
where: short stacking energy: -38.946
Base-Backbone interact. energy: -1.225
local terms energy: -32.536714
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -6.249
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -6.104
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: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -232.049495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.049495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.049495 (E_RNA)
where:
Base-Base interactions energy: -148.397
where: short stacking energy: -64.601
Base-Backbone interact. energy: -0.002
local terms energy: -83.650199
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -213.751485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.751485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.751485 (E_RNA)
where:
Base-Base interactions energy: -137.246
where: short stacking energy: -68.595
Base-Backbone interact. energy: -0.643
local terms energy: -75.861827
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -18.480
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: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -189.364731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.364731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.364731 (E_RNA)
where:
Base-Base interactions energy: -120.773
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.002
local terms energy: -68.589916
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -203.188769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.188769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.188769 (E_RNA)
where:
Base-Base interactions energy: -134.394
where: short stacking energy: -54.366
Base-Backbone interact. energy: -0.551
local terms energy: -68.243230
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -182.918603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.918603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.918603 (E_RNA)
where:
Base-Base interactions energy: -116.902
where: short stacking energy: -51.200
Base-Backbone interact. energy: -0.996
local terms energy: -65.020729
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -14.468
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: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -169.579280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.579280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.579280 (E_RNA)
where:
Base-Base interactions energy: -106.426
where: short stacking energy: -38.964
Base-Backbone interact. energy: -0.096
local terms energy: -63.058050
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -97.376786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.376786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.376786 (E_RNA)
where:
Base-Base interactions energy: -44.316
where: short stacking energy: -36.150
Base-Backbone interact. energy: -0.219
local terms energy: -52.841686
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -102.805998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.805998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.805998 (E_RNA)
where:
Base-Base interactions energy: -37.045
where: short stacking energy: -36.077
Base-Backbone interact. energy: -0.839
local terms energy: -64.922149
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -9.273
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: 270
Temperature: 1.300000
Total energy: -82.331623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.331623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.331623 (E_RNA)
where:
Base-Base interactions energy: -28.380
where: short stacking energy: -19.007
Base-Backbone interact. energy: -0.164
local terms energy: -53.786887
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -1.477
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: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -84.367447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.367447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.367447 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -20.667
Base-Backbone interact. energy: -0.478
local terms energy: -49.557399
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -233.234108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.234108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.234108 (E_RNA)
where:
Base-Base interactions energy: -150.390
where: short stacking energy: -72.888
Base-Backbone interact. energy: -0.037
local terms energy: -82.806691
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -20.874
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: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -204.981596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.981596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.981596 (E_RNA)
where:
Base-Base interactions energy: -130.238
where: short stacking energy: -67.677
Base-Backbone interact. energy: -0.007
local terms energy: -74.736130
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -18.631
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: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -195.469391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.469391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.469391 (E_RNA)
where:
Base-Base interactions energy: -132.310
where: short stacking energy: -65.072
Base-Backbone interact. energy: -0.685
local terms energy: -62.474496
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -193.620637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.620637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.620637 (E_RNA)
where:
Base-Base interactions energy: -128.896
where: short stacking energy: -48.712
Base-Backbone interact. energy: 0.090
local terms energy: -64.815223
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -207.350259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.350259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.350259 (E_RNA)
where:
Base-Base interactions energy: -138.717
where: short stacking energy: -61.297
Base-Backbone interact. energy: -1.012
local terms energy: -67.620966
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -143.416066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.416066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.416066 (E_RNA)
where:
Base-Base interactions energy: -84.797
where: short stacking energy: -53.888
Base-Backbone interact. energy: -0.023
local terms energy: -58.595537
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -7.500
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: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -88.816228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.816228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.816228 (E_RNA)
where:
Base-Base interactions energy: -42.242
where: short stacking energy: -42.242
Base-Backbone interact. energy: 1.018
local terms energy: -47.592523
where:
bonds (distance) C4'-P energy: -7.028
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -4.432
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: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -84.953218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.953218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.953218 (E_RNA)
where:
Base-Base interactions energy: -34.008
where: short stacking energy: -34.008
Base-Backbone interact. energy: -0.112
local terms energy: -50.833128
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -8.015
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: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -83.982619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.982619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.982619 (E_RNA)
where:
Base-Base interactions energy: -37.064
where: short stacking energy: -22.650
Base-Backbone interact. energy: -0.203
local terms energy: -46.715618
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: 2.097
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: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -75.318526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.318526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.318526 (E_RNA)
where:
Base-Base interactions energy: -21.910
where: short stacking energy: -18.125
Base-Backbone interact. energy: -1.838
local terms energy: -51.570883
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -228.430455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.430455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.430455 (E_RNA)
where:
Base-Base interactions energy: -146.781
where: short stacking energy: -77.631
Base-Backbone interact. energy: -0.001
local terms energy: -81.648522
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -210.495616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.495616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.495616 (E_RNA)
where:
Base-Base interactions energy: -148.765
where: short stacking energy: -55.395
Base-Backbone interact. energy: -0.456
local terms energy: -61.274482
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -198.599751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.599751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.599751 (E_RNA)
where:
Base-Base interactions energy: -123.426
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.003
local terms energy: -75.170390
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -17.414
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: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -194.760036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.760036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.760036 (E_RNA)
where:
Base-Base interactions energy: -120.621
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.003
local terms energy: -74.136254
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -214.598612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.598612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.598612 (E_RNA)
where:
Base-Base interactions energy: -139.659
where: short stacking energy: -65.991
Base-Backbone interact. energy: -0.492
local terms energy: -74.447149
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -12.751
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: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -174.307269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.307269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.307269 (E_RNA)
where:
Base-Base interactions energy: -107.609
where: short stacking energy: -41.055
Base-Backbone interact. energy: -0.172
local terms energy: -66.525533
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -8.224
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: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -118.887164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.887164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.887164 (E_RNA)
where:
Base-Base interactions energy: -63.917
where: short stacking energy: -35.030
Base-Backbone interact. energy: -0.316
local terms energy: -54.654165
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -95.288446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.288446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.288446 (E_RNA)
where:
Base-Base interactions energy: -42.990
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.646
local terms energy: -51.652628
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -6.773
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: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -94.001280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.001280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.001280 (E_RNA)
where:
Base-Base interactions energy: -37.920
where: short stacking energy: -27.595
Base-Backbone interact. energy: 0.158
local terms energy: -56.239766
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -85.895911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.895911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.895911 (E_RNA)
where:
Base-Base interactions energy: -48.336
where: short stacking energy: -20.079
Base-Backbone interact. energy: 1.272
local terms energy: -38.831587
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -7.517
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: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -226.930190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.930190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.930190 (E_RNA)
where:
Base-Base interactions energy: -146.567
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.280
local terms energy: -80.083816
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -22.537
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: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -200.850228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.850228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.850228 (E_RNA)
where:
Base-Base interactions energy: -125.358
where: short stacking energy: -64.071
Base-Backbone interact. energy: -0.002
local terms energy: -75.490236
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -195.192373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.192373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.192373 (E_RNA)
where:
Base-Base interactions energy: -129.906
where: short stacking energy: -62.552
Base-Backbone interact. energy: 0.651
local terms energy: -65.936906
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -6.139
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: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -203.923408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.923408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.923408 (E_RNA)
where:
Base-Base interactions energy: -132.844
where: short stacking energy: -50.771
Base-Backbone interact. energy: -0.964
local terms energy: -70.116019
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -185.226861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.226861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.226861 (E_RNA)
where:
Base-Base interactions energy: -127.649
where: short stacking energy: -55.855
Base-Backbone interact. energy: -0.209
local terms energy: -57.369463
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -112.399719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.399719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.399719 (E_RNA)
where:
Base-Base interactions energy: -61.132
where: short stacking energy: -33.175
Base-Backbone interact. energy: -0.437
local terms energy: -50.830982
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -159.511797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.511797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.511797 (E_RNA)
where:
Base-Base interactions energy: -103.906
where: short stacking energy: -52.972
Base-Backbone interact. energy: 1.133
local terms energy: -56.738298
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -93.642042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.642042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.642042 (E_RNA)
where:
Base-Base interactions energy: -40.487
where: short stacking energy: -38.018
Base-Backbone interact. energy: 0.405
local terms energy: -53.560427
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -100.723757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.723757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.723757 (E_RNA)
where:
Base-Base interactions energy: -52.807
where: short stacking energy: -29.747
Base-Backbone interact. energy: -0.006
local terms energy: -47.910262
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -0.450
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: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -78.693024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.693024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.693024 (E_RNA)
where:
Base-Base interactions energy: -43.549
where: short stacking energy: -22.665
Base-Backbone interact. energy: -0.191
local terms energy: -34.953247
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -5.272
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: 0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -229.987831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.987831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.987831 (E_RNA)
where:
Base-Base interactions energy: -150.937
where: short stacking energy: -69.709
Base-Backbone interact. energy: -0.656
local terms energy: -78.394749
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -22.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -199.442179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.442179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.442179 (E_RNA)
where:
Base-Base interactions energy: -127.580
where: short stacking energy: -64.560
Base-Backbone interact. energy: -0.507
local terms energy: -71.354462
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -8.737
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: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -209.879220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.879220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.879220 (E_RNA)
where:
Base-Base interactions energy: -144.075
where: short stacking energy: -70.252
Base-Backbone interact. energy: -0.530
local terms energy: -65.273622
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -10.574
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: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -186.166029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.166029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.166029 (E_RNA)
where:
Base-Base interactions energy: -122.603
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.018
local terms energy: -63.544329
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -188.516642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.516642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.516642 (E_RNA)
where:
Base-Base interactions energy: -124.120
where: short stacking energy: -54.047
Base-Backbone interact. energy: -0.012
local terms energy: -64.384677
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -105.549789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.549789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.549789 (E_RNA)
where:
Base-Base interactions energy: -50.450
where: short stacking energy: -39.598
Base-Backbone interact. energy: -0.252
local terms energy: -54.848327
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -3.240
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: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -180.774333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.774333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.774333 (E_RNA)
where:
Base-Base interactions energy: -114.369
where: short stacking energy: -62.346
Base-Backbone interact. energy: -0.081
local terms energy: -66.323954
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -7.470
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: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -87.674833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.674833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.674833 (E_RNA)
where:
Base-Base interactions energy: -32.193
where: short stacking energy: -32.193
Base-Backbone interact. energy: -0.177
local terms energy: -55.305052
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -8.476
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -85.327329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.327329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.327329 (E_RNA)
where:
Base-Base interactions energy: -32.547
where: short stacking energy: -29.221
Base-Backbone interact. energy: -1.088
local terms energy: -51.692921
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -5.030
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: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -72.436488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.436488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.436488 (E_RNA)
where:
Base-Base interactions energy: -19.192
where: short stacking energy: -18.541
Base-Backbone interact. energy: -0.601
local terms energy: -52.642979
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -222.284740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.284740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.284740 (E_RNA)
where:
Base-Base interactions energy: -149.965
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.438
local terms energy: -71.881290
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -8.466
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: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -219.062667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.062667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.062667 (E_RNA)
where:
Base-Base interactions energy: -150.791
where: short stacking energy: -62.972
Base-Backbone interact. energy: -0.643
local terms energy: -67.628893
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -10.457
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: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -202.578726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.578726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.578726 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.295
local terms energy: -64.580640
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -16.661
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: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -182.810307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.810307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.810307 (E_RNA)
where:
Base-Base interactions energy: -120.185
where: short stacking energy: -56.141
Base-Backbone interact. energy: -0.854
local terms energy: -61.770770
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -2.435
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -179.228579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.228579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.228579 (E_RNA)
where:
Base-Base interactions energy: -116.848
where: short stacking energy: -53.554
Base-Backbone interact. energy: 0.409
local terms energy: -62.790053
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -164.577315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.577315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.577315 (E_RNA)
where:
Base-Base interactions energy: -107.634
where: short stacking energy: -35.645
Base-Backbone interact. energy: -0.306
local terms energy: -56.637909
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -8.471
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -10.238
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: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -97.885663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.885663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.885663 (E_RNA)
where:
Base-Base interactions energy: -59.547
where: short stacking energy: -27.413
Base-Backbone interact. energy: 0.660
local terms energy: -38.998858
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -104.489812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.489812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.489812 (E_RNA)
where:
Base-Base interactions energy: -53.719
where: short stacking energy: -31.663
Base-Backbone interact. energy: -0.086
local terms energy: -50.684474
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -3.094
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: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -91.350109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.350109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.350109 (E_RNA)
where:
Base-Base interactions energy: -27.889
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.145
local terms energy: -63.316579
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -4.522
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: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -75.624067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.624067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.624067 (E_RNA)
where:
Base-Base interactions energy: -26.120
where: short stacking energy: -21.105
Base-Backbone interact. energy: -0.096
local terms energy: -49.407521
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -223.495917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.495917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.495917 (E_RNA)
where:
Base-Base interactions energy: -145.634
where: short stacking energy: -67.725
Base-Backbone interact. energy: -0.484
local terms energy: -77.378672
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -220.089646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.089646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.089646 (E_RNA)
where:
Base-Base interactions energy: -138.489
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.051
local terms energy: -81.549564
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -12.069
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: 3, replica: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -205.309920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.309920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.309920 (E_RNA)
where:
Base-Base interactions energy: -133.901
where: short stacking energy: -64.140
Base-Backbone interact. energy: -0.017
local terms energy: -71.392224
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -183.854896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.854896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.854896 (E_RNA)
where:
Base-Base interactions energy: -121.538
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.047
local terms energy: -62.270277
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -14.324
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: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -187.095347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.095347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.095347 (E_RNA)
where:
Base-Base interactions energy: -122.144
where: short stacking energy: -54.022
Base-Backbone interact. energy: -0.133
local terms energy: -64.818183
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.975
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: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -163.887753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.887753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.887753 (E_RNA)
where:
Base-Base interactions energy: -108.452
where: short stacking energy: -43.333
Base-Backbone interact. energy: -0.161
local terms energy: -55.274880
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -8.084
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: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -100.637314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.637314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.637314 (E_RNA)
where:
Base-Base interactions energy: -43.112
where: short stacking energy: -38.403
Base-Backbone interact. energy: -0.160
local terms energy: -57.365178
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -6.342
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: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -99.070412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.070412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.070412 (E_RNA)
where:
Base-Base interactions energy: -49.913
where: short stacking energy: -25.090
Base-Backbone interact. energy: -0.142
local terms energy: -49.014880
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -0.966
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: 276
Temperature: 1.300000
Total energy: -81.470134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.470134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.470134 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -34.451
Base-Backbone interact. energy: -0.198
local terms energy: -46.820771
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -76.197014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.197014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.197014 (E_RNA)
where:
Base-Base interactions energy: -29.865
where: short stacking energy: -26.566
Base-Backbone interact. energy: 1.923
local terms energy: -48.254276
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -230.569079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.569079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.569079 (E_RNA)
where:
Base-Base interactions energy: -157.670
where: short stacking energy: -66.185
Base-Backbone interact. energy: -0.266
local terms energy: -72.633170
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -223.617862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.617862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.617862 (E_RNA)
where:
Base-Base interactions energy: -146.733
where: short stacking energy: -71.180
Base-Backbone interact. energy: -0.162
local terms energy: -76.723020
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -208.031608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.031608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.031608 (E_RNA)
where:
Base-Base interactions energy: -134.173
where: short stacking energy: -60.714
Base-Backbone interact. energy: -1.298
local terms energy: -72.560464
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -192.648947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.648947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.648947 (E_RNA)
where:
Base-Base interactions energy: -124.572
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.108
local terms energy: -67.968534
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -6.291
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: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -184.518669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.518669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.518669 (E_RNA)
where:
Base-Base interactions energy: -113.370
where: short stacking energy: -55.811
Base-Backbone interact. energy: -0.459
local terms energy: -70.689555
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -16.423
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: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -169.740361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.740361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.740361 (E_RNA)
where:
Base-Base interactions energy: -111.992
where: short stacking energy: -53.864
Base-Backbone interact. energy: -0.129
local terms energy: -57.618602
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -84.996512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.996512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.996512 (E_RNA)
where:
Base-Base interactions energy: -36.758
where: short stacking energy: -31.134
Base-Backbone interact. energy: -0.505
local terms energy: -47.733476
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -9.979
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -82.642264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.642264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.642264 (E_RNA)
where:
Base-Base interactions energy: -24.959
where: short stacking energy: -24.959
Base-Backbone interact. energy: -0.109
local terms energy: -57.574719
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -2.125
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: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -85.425983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.425983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.425983 (E_RNA)
where:
Base-Base interactions energy: -33.245
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.134
local terms energy: -52.046835
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -90.066215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.066215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.066215 (E_RNA)
where:
Base-Base interactions energy: -32.176
where: short stacking energy: -16.312
Base-Backbone interact. energy: -0.190
local terms energy: -57.700010
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: 0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -228.708386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.708386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.708386 (E_RNA)
where:
Base-Base interactions energy: -155.865
where: short stacking energy: -74.120
Base-Backbone interact. energy: -0.125
local terms energy: -72.718474
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -219.112799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.112799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.112799 (E_RNA)
where:
Base-Base interactions energy: -144.456
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.366
local terms energy: -74.290673
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -199.751019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.751019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.751019 (E_RNA)
where:
Base-Base interactions energy: -130.430
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.002
local terms energy: -69.318683
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -182.299021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.299021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.299021 (E_RNA)
where:
Base-Base interactions energy: -123.065
where: short stacking energy: -62.626
Base-Backbone interact. energy: -0.119
local terms energy: -59.115130
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -7.525
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: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -186.206877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.206877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.206877 (E_RNA)
where:
Base-Base interactions energy: -121.876
where: short stacking energy: -51.554
Base-Backbone interact. energy: -0.073
local terms energy: -64.257776
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -179.050502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.050502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.050502 (E_RNA)
where:
Base-Base interactions energy: -122.633
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.007
local terms energy: -56.410405
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -104.520753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.520753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.520753 (E_RNA)
where:
Base-Base interactions energy: -48.196
where: short stacking energy: -39.531
Base-Backbone interact. energy: -0.434
local terms energy: -55.890990
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -86.662044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.662044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.662044 (E_RNA)
where:
Base-Base interactions energy: -29.833
where: short stacking energy: -28.669
Base-Backbone interact. energy: -0.066
local terms energy: -56.762932
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -93.308290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.308290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.308290 (E_RNA)
where:
Base-Base interactions energy: -42.477
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.109
local terms energy: -50.722303
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -76.351823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.351823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.351823 (E_RNA)
where:
Base-Base interactions energy: -23.842
where: short stacking energy: -23.842
Base-Backbone interact. energy: 1.423
local terms energy: -53.933248
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -237.299100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.299100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.299100 (E_RNA)
where:
Base-Base interactions energy: -155.102
where: short stacking energy: -79.882
Base-Backbone interact. energy: -0.003
local terms energy: -82.194122
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -10.209
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: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -211.098251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.098251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.098251 (E_RNA)
where:
Base-Base interactions energy: -131.832
where: short stacking energy: -64.809
Base-Backbone interact. energy: -1.551
local terms energy: -77.715373
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -190.825242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.825242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.825242 (E_RNA)
where:
Base-Base interactions energy: -125.371
where: short stacking energy: -64.825
Base-Backbone interact. energy: 0.842
local terms energy: -66.296395
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -174.403562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.403562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.403562 (E_RNA)
where:
Base-Base interactions energy: -116.522
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.152
local terms energy: -57.728802
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -182.332903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.332903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.332903 (E_RNA)
where:
Base-Base interactions energy: -121.121
where: short stacking energy: -57.749
Base-Backbone interact. energy: 0.428
local terms energy: -61.640476
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -6.347
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: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -114.738091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.738091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.738091 (E_RNA)
where:
Base-Base interactions energy: -67.109
where: short stacking energy: -34.910
Base-Backbone interact. energy: -0.122
local terms energy: -47.506623
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: 0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -183.422101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.422101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.422101 (E_RNA)
where:
Base-Base interactions energy: -116.063
where: short stacking energy: -52.097
Base-Backbone interact. energy: -1.152
local terms energy: -66.206819
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -14.943
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: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -84.307613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.307613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.307613 (E_RNA)
where:
Base-Base interactions energy: -31.657
where: short stacking energy: -24.698
Base-Backbone interact. energy: -0.148
local terms energy: -52.502021
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -90.011677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.011677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.011677 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -32.290
Base-Backbone interact. energy: -0.185
local terms energy: -51.878906
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -87.479968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.479968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.479968 (E_RNA)
where:
Base-Base interactions energy: -35.088
where: short stacking energy: -29.627
Base-Backbone interact. energy: -0.230
local terms energy: -52.161859
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -231.232294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.232294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.232294 (E_RNA)
where:
Base-Base interactions energy: -155.944
where: short stacking energy: -77.233
Base-Backbone interact. energy: -0.017
local terms energy: -75.272105
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -23.811
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: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -214.512206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.512206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.512206 (E_RNA)
where:
Base-Base interactions energy: -136.525
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.804
local terms energy: -77.183846
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -190.453025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.453025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.453025 (E_RNA)
where:
Base-Base interactions energy: -131.035
where: short stacking energy: -55.509
Base-Backbone interact. energy: -0.381
local terms energy: -59.037497
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -197.650899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.650899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.650899 (E_RNA)
where:
Base-Base interactions energy: -125.152
where: short stacking energy: -66.033
Base-Backbone interact. energy: -0.001
local terms energy: -72.497329
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -19.151
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: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -123.228843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.228843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.228843 (E_RNA)
where:
Base-Base interactions energy: -76.850
where: short stacking energy: -32.862
Base-Backbone interact. energy: -0.088
local terms energy: -46.291632
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -8.688
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -155.816010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.816010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.816010 (E_RNA)
where:
Base-Base interactions energy: -100.118
where: short stacking energy: -43.685
Base-Backbone interact. energy: -0.102
local terms energy: -55.595300
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -7.135
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -7.358
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: 280
Temperature: 1.200000
Total energy: -183.966849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.966849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.966849 (E_RNA)
where:
Base-Base interactions energy: -110.785
where: short stacking energy: -47.953
Base-Backbone interact. energy: -1.254
local terms energy: -71.927631
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -89.279606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.279606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.279606 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.167
local terms energy: -48.243621
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -71.558897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.558897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.558897 (E_RNA)
where:
Base-Base interactions energy: -26.522
where: short stacking energy: -26.089
Base-Backbone interact. energy: -0.287
local terms energy: -44.750231
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -1.251
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: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -78.903467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.903467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.903467 (E_RNA)
where:
Base-Base interactions energy: -29.770
where: short stacking energy: -30.121
Base-Backbone interact. energy: -0.058
local terms energy: -49.075020
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -4.097
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: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -237.113634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.113634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.113634 (E_RNA)
where:
Base-Base interactions energy: -152.143
where: short stacking energy: -76.491
Base-Backbone interact. energy: -0.043
local terms energy: -84.928124
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -219.471766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.471766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.471766 (E_RNA)
where:
Base-Base interactions energy: -136.643
where: short stacking energy: -60.562
Base-Backbone interact. energy: -0.782
local terms energy: -82.046577
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -198.368255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.368255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.368255 (E_RNA)
where:
Base-Base interactions energy: -131.044
where: short stacking energy: -62.255
Base-Backbone interact. energy: -0.615
local terms energy: -66.709589
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -209.062192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.062192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.062192 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -47.625
Base-Backbone interact. energy: -1.746
local terms energy: -77.228182
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -126.997982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.997982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.997982 (E_RNA)
where:
Base-Base interactions energy: -69.060
where: short stacking energy: -41.648
Base-Backbone interact. energy: -0.409
local terms energy: -57.529625
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -186.462551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.462551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.462551 (E_RNA)
where:
Base-Base interactions energy: -128.018
where: short stacking energy: -57.834
Base-Backbone interact. energy: -0.002
local terms energy: -58.442627
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -172.594458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.594458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.594458 (E_RNA)
where:
Base-Base interactions energy: -116.571
where: short stacking energy: -55.024
Base-Backbone interact. energy: -0.423
local terms energy: -55.600326
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -97.303249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.303249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.303249 (E_RNA)
where:
Base-Base interactions energy: -44.979
where: short stacking energy: -44.511
Base-Backbone interact. energy: -0.062
local terms energy: -52.262525
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -92.194468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.194468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.194468 (E_RNA)
where:
Base-Base interactions energy: -37.820
where: short stacking energy: -24.481
Base-Backbone interact. energy: -0.048
local terms energy: -54.326292
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -4.794
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: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -85.313283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.313283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.313283 (E_RNA)
where:
Base-Base interactions energy: -30.430
where: short stacking energy: -31.730
Base-Backbone interact. energy: -0.067
local terms energy: -54.816186
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -222.231989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.231989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.231989 (E_RNA)
where:
Base-Base interactions energy: -141.743
where: short stacking energy: -64.868
Base-Backbone interact. energy: -1.076
local terms energy: -79.412899
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -18.592
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: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -229.391064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.391064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.391064 (E_RNA)
where:
Base-Base interactions energy: -155.781
where: short stacking energy: -77.408
Base-Backbone interact. energy: 0.560
local terms energy: -74.169734
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -12.222
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: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -213.902954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.902954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.902954 (E_RNA)
where:
Base-Base interactions energy: -139.829
where: short stacking energy: -54.564
Base-Backbone interact. energy: -0.609
local terms energy: -73.465457
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -196.916410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.916410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.916410 (E_RNA)
where:
Base-Base interactions energy: -140.952
where: short stacking energy: -52.642
Base-Backbone interact. energy: -0.130
local terms energy: -55.834146
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -196.417777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.417777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.417777 (E_RNA)
where:
Base-Base interactions energy: -125.003
where: short stacking energy: -62.099
Base-Backbone interact. energy: -0.042
local terms energy: -71.372991
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -16.386
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: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -174.338826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.338826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.338826 (E_RNA)
where:
Base-Base interactions energy: -114.997
where: short stacking energy: -54.802
Base-Backbone interact. energy: -0.005
local terms energy: -59.337316
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -185.231925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.231925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.231925 (E_RNA)
where:
Base-Base interactions energy: -115.345
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.228
local terms energy: -69.659421
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -91.433572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.433572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.433572 (E_RNA)
where:
Base-Base interactions energy: -46.986
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.131
local terms energy: -44.316587
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -4.490
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -82.172506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.172506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.172506 (E_RNA)
where:
Base-Base interactions energy: -27.409
where: short stacking energy: -27.409
Base-Backbone interact. energy: -0.014
local terms energy: -54.749350
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -73.438746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.438746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.438746 (E_RNA)
where:
Base-Base interactions energy: -26.346
where: short stacking energy: -20.884
Base-Backbone interact. energy: -0.366
local terms energy: -46.726640
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: 0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -213.425070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.425070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.425070 (E_RNA)
where:
Base-Base interactions energy: -135.598
where: short stacking energy: -59.535
Base-Backbone interact. energy: -0.979
local terms energy: -76.848879
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -211.869868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.869868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.869868 (E_RNA)
where:
Base-Base interactions energy: -142.411
where: short stacking energy: -52.703
Base-Backbone interact. energy: -1.007
local terms energy: -68.452762
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -222.272491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.272491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.272491 (E_RNA)
where:
Base-Base interactions energy: -147.767
where: short stacking energy: -72.337
Base-Backbone interact. energy: -0.000
local terms energy: -74.504956
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -190.974423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.974423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.974423 (E_RNA)
where:
Base-Base interactions energy: -123.222
where: short stacking energy: -63.438
Base-Backbone interact. energy: -0.165
local terms energy: -67.587217
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -5.341
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: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -188.320460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.320460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.320460 (E_RNA)
where:
Base-Base interactions energy: -124.978
where: short stacking energy: -48.404
Base-Backbone interact. energy: -1.290
local terms energy: -62.052539
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -10.968
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: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -168.562702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.562702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.562702 (E_RNA)
where:
Base-Base interactions energy: -112.353
where: short stacking energy: -47.393
Base-Backbone interact. energy: -1.098
local terms energy: -55.111899
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -4.837
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: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -176.470727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.470727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.470727 (E_RNA)
where:
Base-Base interactions energy: -118.259
where: short stacking energy: -46.883
Base-Backbone interact. energy: -0.254
local terms energy: -57.958252
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -8.450
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: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -81.306172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.306172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.306172 (E_RNA)
where:
Base-Base interactions energy: -35.131
where: short stacking energy: -24.031
Base-Backbone interact. energy: -0.226
local terms energy: -45.949574
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -77.671141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.671141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.671141 (E_RNA)
where:
Base-Base interactions energy: -34.325
where: short stacking energy: -23.926
Base-Backbone interact. energy: -0.149
local terms energy: -43.197742
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -8.827
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: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -78.181767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.181767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.181767 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -21.575
Base-Backbone interact. energy: 2.981
local terms energy: -52.331884
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -203.668654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.668654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.668654 (E_RNA)
where:
Base-Base interactions energy: -132.064
where: short stacking energy: -66.547
Base-Backbone interact. energy: 0.581
local terms energy: -72.184995
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -216.713928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.713928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.713928 (E_RNA)
where:
Base-Base interactions energy: -139.353
where: short stacking energy: -63.398
Base-Backbone interact. energy: -0.435
local terms energy: -76.925919
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -9.947
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: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -223.894272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.894272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.894272 (E_RNA)
where:
Base-Base interactions energy: -150.672
where: short stacking energy: -71.146
Base-Backbone interact. energy: -0.042
local terms energy: -73.180447
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -19.884
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: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -196.970890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.970890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.970890 (E_RNA)
where:
Base-Base interactions energy: -123.391
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.000
local terms energy: -73.579367
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -188.841710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.841710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.841710 (E_RNA)
where:
Base-Base interactions energy: -127.516
where: short stacking energy: -51.848
Base-Backbone interact. energy: -1.008
local terms energy: -60.318154
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -177.697901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.697901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.697901 (E_RNA)
where:
Base-Base interactions energy: -112.869
where: short stacking energy: -51.011
Base-Backbone interact. energy: -0.112
local terms energy: -64.717193
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -12.327
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: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -169.363395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.363395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.363395 (E_RNA)
where:
Base-Base interactions energy: -111.533
where: short stacking energy: -51.646
Base-Backbone interact. energy: 1.825
local terms energy: -59.654872
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -91.626056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.626056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.626056 (E_RNA)
where:
Base-Base interactions energy: -33.262
where: short stacking energy: -34.367
Base-Backbone interact. energy: -0.537
local terms energy: -57.826912
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -75.922877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.922877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.922877 (E_RNA)
where:
Base-Base interactions energy: -25.760
where: short stacking energy: -15.749
Base-Backbone interact. energy: 0.927
local terms energy: -51.089454
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: 3.654
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: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -91.451894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.451894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.451894 (E_RNA)
where:
Base-Base interactions energy: -41.810
where: short stacking energy: -32.076
Base-Backbone interact. energy: -1.301
local terms energy: -48.340933
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -202.324004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.324004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.324004 (E_RNA)
where:
Base-Base interactions energy: -125.546
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.000
local terms energy: -76.778039
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -10.797
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: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -227.655678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.655678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.655678 (E_RNA)
where:
Base-Base interactions energy: -148.087
where: short stacking energy: -73.446
Base-Backbone interact. energy: 4.228
local terms energy: -83.796945
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -14.198
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: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -208.744579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.744579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.744579 (E_RNA)
where:
Base-Base interactions energy: -145.426
where: short stacking energy: -57.575
Base-Backbone interact. energy: 0.931
local terms energy: -64.249163
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -13.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -202.569541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.569541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.569541 (E_RNA)
where:
Base-Base interactions energy: -134.544
where: short stacking energy: -63.173
Base-Backbone interact. energy: -0.581
local terms energy: -67.444656
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -189.816109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.816109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.816109 (E_RNA)
where:
Base-Base interactions energy: -124.743
where: short stacking energy: -55.364
Base-Backbone interact. energy: -0.085
local terms energy: -64.987985
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -174.441496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.441496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.441496 (E_RNA)
where:
Base-Base interactions energy: -107.658
where: short stacking energy: -47.841
Base-Backbone interact. energy: -0.326
local terms energy: -66.458157
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -160.665000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.665000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.665000 (E_RNA)
where:
Base-Base interactions energy: -103.980
where: short stacking energy: -48.683
Base-Backbone interact. energy: -0.220
local terms energy: -56.465392
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -88.198740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.198740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.198740 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -29.380
Base-Backbone interact. energy: 0.002
local terms energy: -52.364388
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -88.502352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.502352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.502352 (E_RNA)
where:
Base-Base interactions energy: -40.428
where: short stacking energy: -30.090
Base-Backbone interact. energy: -0.092
local terms energy: -47.982107
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -74.685558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.685558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.685558 (E_RNA)
where:
Base-Base interactions energy: -31.827
where: short stacking energy: -25.942
Base-Backbone interact. energy: -0.118
local terms energy: -42.740919
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -5.319
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: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -235.499616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.499616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.499616 (E_RNA)
where:
Base-Base interactions energy: -155.345
where: short stacking energy: -77.544
Base-Backbone interact. energy: -0.000
local terms energy: -80.154955
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -13.379
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: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -195.262329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.262329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.262329 (E_RNA)
where:
Base-Base interactions energy: -128.535
where: short stacking energy: -63.827
Base-Backbone interact. energy: -0.111
local terms energy: -66.616357
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -206.370461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.370461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.370461 (E_RNA)
where:
Base-Base interactions energy: -130.868
where: short stacking energy: -75.395
Base-Backbone interact. energy: -0.009
local terms energy: -75.493760
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -209.476953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.476953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.476953 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -63.860
Base-Backbone interact. energy: -0.493
local terms energy: -75.603742
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -20.135
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: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -175.133262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.133262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.133262 (E_RNA)
where:
Base-Base interactions energy: -112.923
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.553
local terms energy: -61.657791
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -185.226878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.226878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.226878 (E_RNA)
where:
Base-Base interactions energy: -115.025
where: short stacking energy: -56.164
Base-Backbone interact. energy: -0.005
local terms energy: -70.197751
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -172.750263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.750263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.750263 (E_RNA)
where:
Base-Base interactions energy: -105.014
where: short stacking energy: -45.512
Base-Backbone interact. energy: -0.091
local terms energy: -67.645514
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -14.943
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: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -113.249523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.249523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.249523 (E_RNA)
where:
Base-Base interactions energy: -51.329
where: short stacking energy: -48.818
Base-Backbone interact. energy: -0.041
local terms energy: -61.879721
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -73.212148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.212148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.212148 (E_RNA)
where:
Base-Base interactions energy: -29.527
where: short stacking energy: -26.748
Base-Backbone interact. energy: -0.042
local terms energy: -43.643092
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -5.813
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -76.892180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.892180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.892180 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -20.283
Base-Backbone interact. energy: -0.069
local terms energy: -39.731375
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -7.835
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: 0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -235.746655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.746655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.746655 (E_RNA)
where:
Base-Base interactions energy: -151.989
where: short stacking energy: -78.774
Base-Backbone interact. energy: 0.262
local terms energy: -84.020009
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -207.709469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.709469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.709469 (E_RNA)
where:
Base-Base interactions energy: -134.278
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.072
local terms energy: -73.358840
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -12.144
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: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -190.059748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.059748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.059748 (E_RNA)
where:
Base-Base interactions energy: -123.790
where: short stacking energy: -53.314
Base-Backbone interact. energy: -0.008
local terms energy: -66.261033
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -201.616949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.616949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.616949 (E_RNA)
where:
Base-Base interactions energy: -134.591
where: short stacking energy: -48.654
Base-Backbone interact. energy: -0.315
local terms energy: -66.710915
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -10.800
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: 287
Temperature: 1.100000
Total energy: -170.586383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.586383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.586383 (E_RNA)
where:
Base-Base interactions energy: -108.902
where: short stacking energy: -49.227
Base-Backbone interact. energy: -0.260
local terms energy: -61.424073
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -176.566900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.566900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.566900 (E_RNA)
where:
Base-Base interactions energy: -109.877
where: short stacking energy: -51.857
Base-Backbone interact. energy: -0.109
local terms energy: -66.581423
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -178.722801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.722801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.722801 (E_RNA)
where:
Base-Base interactions energy: -111.867
where: short stacking energy: -52.401
Base-Backbone interact. energy: 0.485
local terms energy: -67.340533
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -87.794557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.794557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.794557 (E_RNA)
where:
Base-Base interactions energy: -41.341
where: short stacking energy: -37.065
Base-Backbone interact. energy: -0.007
local terms energy: -46.446703
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -83.497879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.497879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.497879 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -30.311
Base-Backbone interact. energy: -0.226
local terms energy: -51.953987
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -9.294
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: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -88.917760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.917760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.917760 (E_RNA)
where:
Base-Base interactions energy: -29.543
where: short stacking energy: -29.543
Base-Backbone interact. energy: -0.173
local terms energy: -59.201423
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -4.905
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: 288
Temperature: 0.900000
Total energy: -238.092178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.092178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.092178 (E_RNA)
where:
Base-Base interactions energy: -156.552
where: short stacking energy: -78.654
Base-Backbone interact. energy: 0.894
local terms energy: -82.434161
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -13.666
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: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -209.742012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.742012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.742012 (E_RNA)
where:
Base-Base interactions energy: -131.638
where: short stacking energy: -57.658
Base-Backbone interact. energy: -0.112
local terms energy: -77.992456
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -12.234
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: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -218.469231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.469231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.469231 (E_RNA)
where:
Base-Base interactions energy: -144.416
where: short stacking energy: -66.645
Base-Backbone interact. energy: -0.264
local terms energy: -73.789699
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -16.566
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: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -184.941219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.941219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.941219 (E_RNA)
where:
Base-Base interactions energy: -119.934
where: short stacking energy: -45.569
Base-Backbone interact. energy: -0.071
local terms energy: -64.936543
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -12.184
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: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -180.093886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.093886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.093886 (E_RNA)
where:
Base-Base interactions energy: -115.420
where: short stacking energy: -56.673
Base-Backbone interact. energy: 0.214
local terms energy: -64.887637
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -178.838321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.838321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.838321 (E_RNA)
where:
Base-Base interactions energy: -124.140
where: short stacking energy: -44.387
Base-Backbone interact. energy: -1.168
local terms energy: -53.530193
where:
bonds (distance) C4'-P energy: -7.530
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -10.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -89.203295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.203295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.203295 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -32.025
Base-Backbone interact. energy: -0.263
local terms energy: -56.915743
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -167.376896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.376896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.376896 (E_RNA)
where:
Base-Base interactions energy: -115.045
where: short stacking energy: -54.466
Base-Backbone interact. energy: -0.225
local terms energy: -52.107280
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -7.142
flat angles P-C4'-P energy: -4.578
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: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -75.921500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.921500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.921500 (E_RNA)
where:
Base-Base interactions energy: -41.637
where: short stacking energy: -29.585
Base-Backbone interact. energy: -1.079
local terms energy: -33.205007
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -0.453
tors. eta vs tors. theta energy: -2.669
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: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -86.128992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.128992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.128992 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -33.892
Base-Backbone interact. energy: -1.131
local terms energy: -50.931112
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -6.006
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: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -232.189442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.189442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.189442 (E_RNA)
where:
Base-Base interactions energy: -151.482
where: short stacking energy: -71.747
Base-Backbone interact. energy: -0.002
local terms energy: -80.704676
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -213.442166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.442166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.442166 (E_RNA)
where:
Base-Base interactions energy: -140.728
where: short stacking energy: -73.956
Base-Backbone interact. energy: -0.464
local terms energy: -72.250565
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -210.000655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.000655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.000655 (E_RNA)
where:
Base-Base interactions energy: -139.322
where: short stacking energy: -70.429
Base-Backbone interact. energy: -0.847
local terms energy: -69.831730
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -9.847
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: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -195.268911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.268911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.268911 (E_RNA)
where:
Base-Base interactions energy: -128.249
where: short stacking energy: -62.392
Base-Backbone interact. energy: -0.283
local terms energy: -66.736385
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -183.210574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.210574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.210574 (E_RNA)
where:
Base-Base interactions energy: -117.051
where: short stacking energy: -56.823
Base-Backbone interact. energy: -0.101
local terms energy: -66.058769
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -97.554652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.554652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.554652 (E_RNA)
where:
Base-Base interactions energy: -38.483
where: short stacking energy: -39.014
Base-Backbone interact. energy: -0.264
local terms energy: -58.807432
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -170.440567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.440567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.440567 (E_RNA)
where:
Base-Base interactions energy: -112.254
where: short stacking energy: -44.623
Base-Backbone interact. energy: 1.816
local terms energy: -60.002215
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -9.735
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: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -169.283619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.283619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.283619 (E_RNA)
where:
Base-Base interactions energy: -117.373
where: short stacking energy: -57.650
Base-Backbone interact. energy: -0.103
local terms energy: -51.807398
where:
bonds (distance) C4'-P energy: -8.776
bonds (distance) P-C4' energy: -6.446
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -15.056
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: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -89.887584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.887584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.887584 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -35.484
Base-Backbone interact. energy: -0.031
local terms energy: -52.885923
where:
bonds (distance) C4'-P energy: -6.411
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -84.836881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.836881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.836881 (E_RNA)
where:
Base-Base interactions energy: -27.868
where: short stacking energy: -25.659
Base-Backbone interact. energy: -0.393
local terms energy: -56.575334
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -234.419598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.419598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.419598 (E_RNA)
where:
Base-Base interactions energy: -154.074
where: short stacking energy: -75.035
Base-Backbone interact. energy: -0.350
local terms energy: -79.995666
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -12.534
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: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -231.196975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.196975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.196975 (E_RNA)
where:
Base-Base interactions energy: -153.048
where: short stacking energy: -67.223
Base-Backbone interact. energy: -0.061
local terms energy: -78.087084
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -8.359
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: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -217.038199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.038199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.038199 (E_RNA)
where:
Base-Base interactions energy: -155.414
where: short stacking energy: -71.992
Base-Backbone interact. energy: 0.914
local terms energy: -62.537594
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -185.828335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.828335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.828335 (E_RNA)
where:
Base-Base interactions energy: -118.112
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.101
local terms energy: -67.615709
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -188.921247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.921247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.921247 (E_RNA)
where:
Base-Base interactions energy: -120.518
where: short stacking energy: -61.543
Base-Backbone interact. energy: -0.076
local terms energy: -68.327113
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -117.654012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.654012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.654012 (E_RNA)
where:
Base-Base interactions energy: -63.056
where: short stacking energy: -34.624
Base-Backbone interact. energy: -0.378
local terms energy: -54.220347
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -178.708927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.708927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.708927 (E_RNA)
where:
Base-Base interactions energy: -110.026
where: short stacking energy: -58.662
Base-Backbone interact. energy: -0.016
local terms energy: -68.666569
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -11.262
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: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -102.464419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.464419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.464419 (E_RNA)
where:
Base-Base interactions energy: -59.150
where: short stacking energy: -32.775
Base-Backbone interact. energy: 0.382
local terms energy: -43.695923
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -6.614
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -84.195586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.195586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.195586 (E_RNA)
where:
Base-Base interactions energy: -30.293
where: short stacking energy: -30.293
Base-Backbone interact. energy: -0.083
local terms energy: -53.819612
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -9.198
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -2.781
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: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -74.255600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.255600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.255600 (E_RNA)
where:
Base-Base interactions energy: -32.692
where: short stacking energy: -19.363
Base-Backbone interact. energy: -0.407
local terms energy: -41.156708
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -7.198
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: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -229.189949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.189949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.189949 (E_RNA)
where:
Base-Base interactions energy: -151.830
where: short stacking energy: -80.467
Base-Backbone interact. energy: -0.314
local terms energy: -77.045158
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -225.122218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.122218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.122218 (E_RNA)
where:
Base-Base interactions energy: -146.681
where: short stacking energy: -74.844
Base-Backbone interact. energy: -0.025
local terms energy: -78.415686
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -20.606
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: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -213.798056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.798056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.798056 (E_RNA)
where:
Base-Base interactions energy: -152.151
where: short stacking energy: -62.907
Base-Backbone interact. energy: -0.622
local terms energy: -61.024993
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -185.377301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.377301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.377301 (E_RNA)
where:
Base-Base interactions energy: -116.426
where: short stacking energy: -52.948
Base-Backbone interact. energy: -0.745
local terms energy: -68.206475
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -192.854365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.854365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.854365 (E_RNA)
where:
Base-Base interactions energy: -128.523
where: short stacking energy: -64.501
Base-Backbone interact. energy: -0.002
local terms energy: -64.329705
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -179.999811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.999811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.999811 (E_RNA)
where:
Base-Base interactions energy: -118.700
where: short stacking energy: -47.251
Base-Backbone interact. energy: -0.096
local terms energy: -61.204023
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -134.231957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.231957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.231957 (E_RNA)
where:
Base-Base interactions energy: -82.394
where: short stacking energy: -42.420
Base-Backbone interact. energy: -0.021
local terms energy: -51.817571
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -2.710
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: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -88.118272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.118272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.118272 (E_RNA)
where:
Base-Base interactions energy: -42.927
where: short stacking energy: -29.508
Base-Backbone interact. energy: -0.102
local terms energy: -45.088917
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -2.703
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: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -82.437932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.437932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.437932 (E_RNA)
where:
Base-Base interactions energy: -33.465
where: short stacking energy: -33.465
Base-Backbone interact. energy: -1.064
local terms energy: -47.909367
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -75.558121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.558121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.558121 (E_RNA)
where:
Base-Base interactions energy: -33.768
where: short stacking energy: -32.394
Base-Backbone interact. energy: -0.048
local terms energy: -41.742603
where:
bonds (distance) C4'-P energy: -4.991
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -231.323088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.323088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.323088 (E_RNA)
where:
Base-Base interactions energy: -153.334
where: short stacking energy: -74.879
Base-Backbone interact. energy: -0.001
local terms energy: -77.988210
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -221.852990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.852990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.852990 (E_RNA)
where:
Base-Base interactions energy: -147.951
where: short stacking energy: -73.812
Base-Backbone interact. energy: -0.214
local terms energy: -73.688410
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -193.669274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.669274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.669274 (E_RNA)
where:
Base-Base interactions energy: -128.777
where: short stacking energy: -48.749
Base-Backbone interact. energy: 0.885
local terms energy: -65.777549
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -210.634404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.634404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.634404 (E_RNA)
where:
Base-Base interactions energy: -141.105
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.233
local terms energy: -69.296958
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -10.565
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: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -186.242437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.242437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.242437 (E_RNA)
where:
Base-Base interactions energy: -126.645
where: short stacking energy: -56.511
Base-Backbone interact. energy: -0.006
local terms energy: -59.591437
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -174.338578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.338578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.338578 (E_RNA)
where:
Base-Base interactions energy: -114.513
where: short stacking energy: -53.399
Base-Backbone interact. energy: 1.013
local terms energy: -60.838278
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -13.329
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: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -154.881289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.881289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.881289 (E_RNA)
where:
Base-Base interactions energy: -95.092
where: short stacking energy: -46.785
Base-Backbone interact. energy: -0.037
local terms energy: -59.752038
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -84.497061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.497061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.497061 (E_RNA)
where:
Base-Base interactions energy: -34.749
where: short stacking energy: -34.749
Base-Backbone interact. energy: -1.113
local terms energy: -48.634948
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -5.326
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: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -84.424918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.424918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.424918 (E_RNA)
where:
Base-Base interactions energy: -30.321
where: short stacking energy: -26.454
Base-Backbone interact. energy: 0.289
local terms energy: -54.392063
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: 0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -79.708465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.708465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.708465 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -25.703
Base-Backbone interact. energy: -0.030
local terms energy: -41.060608
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -8.403
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -0.104
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: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -230.857578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.857578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.857578 (E_RNA)
where:
Base-Base interactions energy: -153.298
where: short stacking energy: -72.019
Base-Backbone interact. energy: -0.024
local terms energy: -77.536281
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -227.062852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.062852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.062852 (E_RNA)
where:
Base-Base interactions energy: -145.704
where: short stacking energy: -71.265
Base-Backbone interact. energy: -0.566
local terms energy: -80.793468
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -21.930
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: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -188.981587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.981587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.981587 (E_RNA)
where:
Base-Base interactions energy: -122.818
where: short stacking energy: -60.722
Base-Backbone interact. energy: -0.016
local terms energy: -66.148057
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -202.230944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.230944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.230944 (E_RNA)
where:
Base-Base interactions energy: -140.836
where: short stacking energy: -59.096
Base-Backbone interact. energy: 1.617
local terms energy: -63.012436
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -187.211760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.211760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.211760 (E_RNA)
where:
Base-Base interactions energy: -119.748
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.126
local terms energy: -67.337746
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -6.886
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: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -189.920750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.920750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.920750 (E_RNA)
where:
Base-Base interactions energy: -125.651
where: short stacking energy: -53.357
Base-Backbone interact. energy: 1.401
local terms energy: -65.669992
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -13.166
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: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -155.278703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.278703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.278703 (E_RNA)
where:
Base-Base interactions energy: -106.484
where: short stacking energy: -39.596
Base-Backbone interact. energy: -0.186
local terms energy: -48.608781
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -6.756
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: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -101.254113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.254113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.254113 (E_RNA)
where:
Base-Base interactions energy: -46.669
where: short stacking energy: -42.134
Base-Backbone interact. energy: -0.160
local terms energy: -54.425310
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -79.232287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.232287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.232287 (E_RNA)
where:
Base-Base interactions energy: -36.872
where: short stacking energy: -19.992
Base-Backbone interact. energy: 0.311
local terms energy: -42.671153
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -6.832
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -74.150906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.150906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.150906 (E_RNA)
where:
Base-Base interactions energy: -31.396
where: short stacking energy: -15.246
Base-Backbone interact. energy: -0.289
local terms energy: -42.466395
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: 1.573
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: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -228.533388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.533388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.533388 (E_RNA)
where:
Base-Base interactions energy: -152.410
where: short stacking energy: -69.523
Base-Backbone interact. energy: -0.678
local terms energy: -75.445200
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -232.988519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.988519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.988519 (E_RNA)
where:
Base-Base interactions energy: -156.262
where: short stacking energy: -72.488
Base-Backbone interact. energy: -0.042
local terms energy: -76.684398
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -211.745109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.745109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.745109 (E_RNA)
where:
Base-Base interactions energy: -143.988
where: short stacking energy: -67.447
Base-Backbone interact. energy: -0.262
local terms energy: -67.494656
where:
bonds (distance) C4'-P energy: -8.163
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -15.951
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: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -190.449981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.449981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.449981 (E_RNA)
where:
Base-Base interactions energy: -117.448
where: short stacking energy: -53.684
Base-Backbone interact. energy: -0.188
local terms energy: -72.814122
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -12.888
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: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -193.729120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.729120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.729120 (E_RNA)
where:
Base-Base interactions energy: -132.904
where: short stacking energy: -60.682
Base-Backbone interact. energy: 0.609
local terms energy: -61.434083
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -181.385878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.385878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.385878 (E_RNA)
where:
Base-Base interactions energy: -110.244
where: short stacking energy: -55.725
Base-Backbone interact. energy: -0.109
local terms energy: -71.033261
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -154.726930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.726930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.726930 (E_RNA)
where:
Base-Base interactions energy: -103.070
where: short stacking energy: -40.668
Base-Backbone interact. energy: 0.823
local terms energy: -52.479745
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -84.939767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.939767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.939767 (E_RNA)
where:
Base-Base interactions energy: -44.288
where: short stacking energy: -37.397
Base-Backbone interact. energy: 0.352
local terms energy: -41.003236
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -83.958240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.958240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.958240 (E_RNA)
where:
Base-Base interactions energy: -33.221
where: short stacking energy: -17.264
Base-Backbone interact. energy: -0.216
local terms energy: -50.520822
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -79.054074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.054074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.054074 (E_RNA)
where:
Base-Base interactions energy: -28.976
where: short stacking energy: -26.298
Base-Backbone interact. energy: -0.204
local terms energy: -49.874164
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -223.871350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.871350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.871350 (E_RNA)
where:
Base-Base interactions energy: -150.707
where: short stacking energy: -68.204
Base-Backbone interact. energy: -0.279
local terms energy: -72.885421
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.523
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: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -226.480537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.480537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.480537 (E_RNA)
where:
Base-Base interactions energy: -154.379
where: short stacking energy: -71.559
Base-Backbone interact. energy: -0.802
local terms energy: -71.298727
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.048
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: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -219.273436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.273436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.273436 (E_RNA)
where:
Base-Base interactions energy: -144.804
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.232
local terms energy: -74.237153
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -10.292
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: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -202.408852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.408852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.408852 (E_RNA)
where:
Base-Base interactions energy: -140.621
where: short stacking energy: -56.830
Base-Backbone interact. energy: 0.807
local terms energy: -62.595431
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -185.857427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.857427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.857427 (E_RNA)
where:
Base-Base interactions energy: -114.012
where: short stacking energy: -55.168
Base-Backbone interact. energy: -0.000
local terms energy: -71.844926
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -6.215
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: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -181.481337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.481337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.481337 (E_RNA)
where:
Base-Base interactions energy: -113.516
where: short stacking energy: -58.459
Base-Backbone interact. energy: -0.095
local terms energy: -67.870145
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -163.524507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.524507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.524507 (E_RNA)
where:
Base-Base interactions energy: -107.937
where: short stacking energy: -48.522
Base-Backbone interact. energy: -0.009
local terms energy: -55.579030
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -87.160071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.160071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.160071 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -27.815
Base-Backbone interact. energy: -0.167
local terms energy: -55.390283
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -84.766197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.766197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.766197 (E_RNA)
where:
Base-Base interactions energy: -36.730
where: short stacking energy: -31.350
Base-Backbone interact. energy: -1.692
local terms energy: -46.344898
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -83.597097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.597097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.597097 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -39.462
Base-Backbone interact. energy: -0.318
local terms energy: -43.817334
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -2.284
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -212.622316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.622316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.622316 (E_RNA)
where:
Base-Base interactions energy: -144.476
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.429
local terms energy: -67.717612
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.823
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: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -220.513881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.513881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.513881 (E_RNA)
where:
Base-Base interactions energy: -153.274
where: short stacking energy: -74.359
Base-Backbone interact. energy: -0.891
local terms energy: -66.349098
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -5.139
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: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -229.681589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.681589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.681589 (E_RNA)
where:
Base-Base interactions energy: -155.413
where: short stacking energy: -72.310
Base-Backbone interact. energy: -0.360
local terms energy: -73.909375
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -207.018348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.018348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.018348 (E_RNA)
where:
Base-Base interactions energy: -146.591
where: short stacking energy: -54.603
Base-Backbone interact. energy: -0.346
local terms energy: -60.081192
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -183.220080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.220080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.220080 (E_RNA)
where:
Base-Base interactions energy: -127.669
where: short stacking energy: -47.286
Base-Backbone interact. energy: -0.422
local terms energy: -55.128896
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -201.172949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.172949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.172949 (E_RNA)
where:
Base-Base interactions energy: -132.844
where: short stacking energy: -66.816
Base-Backbone interact. energy: -0.002
local terms energy: -68.327084
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -147.932957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.932957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.932957 (E_RNA)
where:
Base-Base interactions energy: -99.642
where: short stacking energy: -50.826
Base-Backbone interact. energy: -0.567
local terms energy: -47.724040
where:
bonds (distance) C4'-P energy: -6.190
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -10.096
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: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -78.585787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.585787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.585787 (E_RNA)
where:
Base-Base interactions energy: -25.570
where: short stacking energy: -25.570
Base-Backbone interact. energy: -0.173
local terms energy: -52.842327
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -85.387943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.387943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.387943 (E_RNA)
where:
Base-Base interactions energy: -36.586
where: short stacking energy: -36.586
Base-Backbone interact. energy: -0.128
local terms energy: -48.673383
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -3.005
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: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -75.107468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.107468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.107468 (E_RNA)
where:
Base-Base interactions energy: -25.797
where: short stacking energy: -25.797
Base-Backbone interact. energy: -0.207
local terms energy: -49.103712
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -218.199341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.199341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.199341 (E_RNA)
where:
Base-Base interactions energy: -139.469
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.096
local terms energy: -78.634094
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -234.009550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.009550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.009550 (E_RNA)
where:
Base-Base interactions energy: -154.626
where: short stacking energy: -79.726
Base-Backbone interact. energy: -0.018
local terms energy: -79.365898
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -21.245
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: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -218.820310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.820310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.820310 (E_RNA)
where:
Base-Base interactions energy: -142.839
where: short stacking energy: -68.338
Base-Backbone interact. energy: -0.045
local terms energy: -75.936199
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -22.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -188.936707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.936707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.936707 (E_RNA)
where:
Base-Base interactions energy: -119.021
where: short stacking energy: -62.860
Base-Backbone interact. energy: -0.009
local terms energy: -69.907503
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.169
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: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -179.050472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.050472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.050472 (E_RNA)
where:
Base-Base interactions energy: -113.932
where: short stacking energy: -53.689
Base-Backbone interact. energy: 0.174
local terms energy: -65.292474
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -183.539925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.539925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.539925 (E_RNA)
where:
Base-Base interactions energy: -124.401
where: short stacking energy: -61.990
Base-Backbone interact. energy: -0.305
local terms energy: -58.833506
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -157.607624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.607624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.607624 (E_RNA)
where:
Base-Base interactions energy: -108.357
where: short stacking energy: -45.303
Base-Backbone interact. energy: 2.353
local terms energy: -51.603144
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -88.578969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578969 (E_RNA)
where:
Base-Base interactions energy: -36.489
where: short stacking energy: -35.799
Base-Backbone interact. energy: -0.182
local terms energy: -51.908865
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -85.373673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.373673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.373673 (E_RNA)
where:
Base-Base interactions energy: -41.957
where: short stacking energy: -24.854
Base-Backbone interact. energy: 0.430
local terms energy: -43.846642
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: 1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -82.242778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.242778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.242778 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.130
local terms energy: -47.887020
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -228.299812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.299812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.299812 (E_RNA)
where:
Base-Base interactions energy: -145.324
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.012
local terms energy: -82.963604
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -212.641090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.641090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.641090 (E_RNA)
where:
Base-Base interactions energy: -140.358
where: short stacking energy: -58.472
Base-Backbone interact. energy: -0.594
local terms energy: -71.689768
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -9.979
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: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -199.271893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.271893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.271893 (E_RNA)
where:
Base-Base interactions energy: -137.011
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.200
local terms energy: -62.061235
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -12.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -217.299335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.299335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.299335 (E_RNA)
where:
Base-Base interactions energy: -138.246
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.029
local terms energy: -79.025028
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -9.739
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: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -183.092012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.092012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.092012 (E_RNA)
where:
Base-Base interactions energy: -113.878
where: short stacking energy: -54.672
Base-Backbone interact. energy: -0.138
local terms energy: -69.076211
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -12.063
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: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -174.051755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.051755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.051755 (E_RNA)
where:
Base-Base interactions energy: -116.515
where: short stacking energy: -40.264
Base-Backbone interact. energy: 0.353
local terms energy: -57.889649
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -175.609629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.609629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.609629 (E_RNA)
where:
Base-Base interactions energy: -112.153
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.078
local terms energy: -63.379420
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -98.399651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.399651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.399651 (E_RNA)
where:
Base-Base interactions energy: -48.913
where: short stacking energy: -27.492
Base-Backbone interact. energy: -0.270
local terms energy: -49.216832
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -80.830681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.830681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.830681 (E_RNA)
where:
Base-Base interactions energy: -31.822
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.065
local terms energy: -48.943799
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -79.559691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.559691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.559691 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.890
local terms energy: -44.631270
where:
bonds (distance) C4'-P energy: -7.033
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -233.077091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.077091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.077091 (E_RNA)
where:
Base-Base interactions energy: -152.464
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.083
local terms energy: -80.529817
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -12.943
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: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -208.490590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.490590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.490590 (E_RNA)
where:
Base-Base interactions energy: -144.614
where: short stacking energy: -61.662
Base-Backbone interact. energy: -0.169
local terms energy: -63.707400
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -199.395186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.395186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.395186 (E_RNA)
where:
Base-Base interactions energy: -138.799
where: short stacking energy: -66.565
Base-Backbone interact. energy: -0.020
local terms energy: -60.576487
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -11.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -217.680085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.680085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.680085 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -78.317
Base-Backbone interact. energy: -0.615
local terms energy: -70.539361
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -183.818806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.818806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.818806 (E_RNA)
where:
Base-Base interactions energy: -120.127
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.024
local terms energy: -63.667179
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -173.983934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.983934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.983934 (E_RNA)
where:
Base-Base interactions energy: -117.257
where: short stacking energy: -52.760
Base-Backbone interact. energy: -0.122
local terms energy: -56.605304
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -182.354031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.354031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.354031 (E_RNA)
where:
Base-Base interactions energy: -115.778
where: short stacking energy: -53.137
Base-Backbone interact. energy: -0.023
local terms energy: -66.552599
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -86.833399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.833399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.833399 (E_RNA)
where:
Base-Base interactions energy: -34.532
where: short stacking energy: -32.829
Base-Backbone interact. energy: -0.051
local terms energy: -52.250130
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -5.206
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: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -87.496729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.496729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.496729 (E_RNA)
where:
Base-Base interactions energy: -37.995
where: short stacking energy: -36.060
Base-Backbone interact. energy: -0.109
local terms energy: -49.392147
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -5.366
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: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -69.549171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.549171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.549171 (E_RNA)
where:
Base-Base interactions energy: -29.059
where: short stacking energy: -28.792
Base-Backbone interact. energy: 0.140
local terms energy: -40.630571
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -8.670
flat angles C4'-P-C4' energy: -6.546
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -232.829558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.829558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.829558 (E_RNA)
where:
Base-Base interactions energy: -160.852
where: short stacking energy: -74.288
Base-Backbone interact. energy: -0.057
local terms energy: -71.920087
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -18.204
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: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -214.264484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.264484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.264484 (E_RNA)
where:
Base-Base interactions energy: -150.426
where: short stacking energy: -60.268
Base-Backbone interact. energy: -1.025
local terms energy: -62.814138
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -206.786538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.786538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.786538 (E_RNA)
where:
Base-Base interactions energy: -130.800
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.051
local terms energy: -75.934674
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -17.767
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: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -198.042067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.042067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.042067 (E_RNA)
where:
Base-Base interactions energy: -126.833
where: short stacking energy: -55.185
Base-Backbone interact. energy: -1.108
local terms energy: -70.101124
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -202.143997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.143997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.143997 (E_RNA)
where:
Base-Base interactions energy: -137.499
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.503
local terms energy: -64.142070
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -9.635
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: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -188.667790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.667790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.667790 (E_RNA)
where:
Base-Base interactions energy: -120.600
where: short stacking energy: -51.116
Base-Backbone interact. energy: -0.475
local terms energy: -67.592610
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -7.937
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: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -175.919798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.919798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.919798 (E_RNA)
where:
Base-Base interactions energy: -115.337
where: short stacking energy: -55.600
Base-Backbone interact. energy: -0.005
local terms energy: -60.578517
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -10.219
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: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -93.878998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.878998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.878998 (E_RNA)
where:
Base-Base interactions energy: -37.434
where: short stacking energy: -35.527
Base-Backbone interact. energy: -0.159
local terms energy: -56.286122
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -79.152674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.152674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.152674 (E_RNA)
where:
Base-Base interactions energy: -29.385
where: short stacking energy: -21.142
Base-Backbone interact. energy: -0.147
local terms energy: -49.620988
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -71.323521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.323521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.323521 (E_RNA)
where:
Base-Base interactions energy: -26.220
where: short stacking energy: -20.417
Base-Backbone interact. energy: -0.691
local terms energy: -44.412450
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: 0.274
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: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -234.544782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.544782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.544782 (E_RNA)
where:
Base-Base interactions energy: -155.819
where: short stacking energy: -76.312
Base-Backbone interact. energy: 0.217
local terms energy: -78.942529
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -219.314909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.314909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.314909 (E_RNA)
where:
Base-Base interactions energy: -141.004
where: short stacking energy: -74.436
Base-Backbone interact. energy: -0.018
local terms energy: -78.292922
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -22.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -215.699576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699576 (E_RNA)
where:
Base-Base interactions energy: -147.251
where: short stacking energy: -68.589
Base-Backbone interact. energy: -0.507
local terms energy: -67.941358
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -16.023
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: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -182.915604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.915604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.915604 (E_RNA)
where:
Base-Base interactions energy: -123.590
where: short stacking energy: -57.741
Base-Backbone interact. energy: 0.264
local terms energy: -59.589393
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -197.447388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.447388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.447388 (E_RNA)
where:
Base-Base interactions energy: -123.536
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.010
local terms energy: -73.900843
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -20.940
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: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -173.752278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.752278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.752278 (E_RNA)
where:
Base-Base interactions energy: -121.158
where: short stacking energy: -42.336
Base-Backbone interact. energy: -0.224
local terms energy: -52.370941
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -173.841616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.841616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.841616 (E_RNA)
where:
Base-Base interactions energy: -117.821
where: short stacking energy: -54.373
Base-Backbone interact. energy: -0.005
local terms energy: -56.015744
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -102.548026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.548026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.548026 (E_RNA)
where:
Base-Base interactions energy: -51.574
where: short stacking energy: -30.907
Base-Backbone interact. energy: -0.057
local terms energy: -50.916676
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -78.841741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.841741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.841741 (E_RNA)
where:
Base-Base interactions energy: -24.204
where: short stacking energy: -24.204
Base-Backbone interact. energy: 2.319
local terms energy: -56.956292
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -10.567
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: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -79.355177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.355177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.355177 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -32.602
Base-Backbone interact. energy: -0.249
local terms energy: -40.036346
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -6.137
flat angles P-C4'-P energy: -2.130
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -233.702342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.702342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.702342 (E_RNA)
where:
Base-Base interactions energy: -153.386
where: short stacking energy: -74.961
Base-Backbone interact. energy: -0.000
local terms energy: -80.316025
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -22.398
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: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -230.048771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.048771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.048771 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -75.353
Base-Backbone interact. energy: 0.433
local terms energy: -81.253757
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -176.061231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.061231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.061231 (E_RNA)
where:
Base-Base interactions energy: -110.906
where: short stacking energy: -54.677
Base-Backbone interact. energy: 1.937
local terms energy: -67.091774
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.166
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: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -199.915442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.915442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.915442 (E_RNA)
where:
Base-Base interactions energy: -130.472
where: short stacking energy: -61.896
Base-Backbone interact. energy: -0.433
local terms energy: -69.010068
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -11.202
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: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -177.947538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.947538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.947538 (E_RNA)
where:
Base-Base interactions energy: -109.102
where: short stacking energy: -47.122
Base-Backbone interact. energy: -0.164
local terms energy: -68.681920
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -13.491
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: 302
Temperature: 1.150000
Total energy: -175.283703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.283703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.283703 (E_RNA)
where:
Base-Base interactions energy: -121.025
where: short stacking energy: -46.730
Base-Backbone interact. energy: -0.459
local terms energy: -53.799881
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -168.649010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.649010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.649010 (E_RNA)
where:
Base-Base interactions energy: -101.533
where: short stacking energy: -41.755
Base-Backbone interact. energy: -0.037
local terms energy: -67.078104
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -91.298781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298781 (E_RNA)
where:
Base-Base interactions energy: -32.450
where: short stacking energy: -33.050
Base-Backbone interact. energy: -0.528
local terms energy: -58.321281
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -6.344
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: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -81.615767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.615767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.615767 (E_RNA)
where:
Base-Base interactions energy: -30.906
where: short stacking energy: -27.257
Base-Backbone interact. energy: -0.018
local terms energy: -50.691322
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -1.863
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -82.016681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.016681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.016681 (E_RNA)
where:
Base-Base interactions energy: -35.053
where: short stacking energy: -28.396
Base-Backbone interact. energy: -0.154
local terms energy: -46.809187
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -229.963003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.963003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.963003 (E_RNA)
where:
Base-Base interactions energy: -149.552
where: short stacking energy: -71.027
Base-Backbone interact. energy: -0.001
local terms energy: -80.410430
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -231.836842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.836842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.836842 (E_RNA)
where:
Base-Base interactions energy: -153.051
where: short stacking energy: -76.261
Base-Backbone interact. energy: -0.517
local terms energy: -78.268920
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -19.898
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: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -185.612381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.612381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.612381 (E_RNA)
where:
Base-Base interactions energy: -121.958
where: short stacking energy: -56.870
Base-Backbone interact. energy: -0.228
local terms energy: -63.426379
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -11.125
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: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -187.769832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.769832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.769832 (E_RNA)
where:
Base-Base interactions energy: -119.549
where: short stacking energy: -62.891
Base-Backbone interact. energy: -0.034
local terms energy: -68.186799
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -203.332494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.332494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.332494 (E_RNA)
where:
Base-Base interactions energy: -141.261
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.064
local terms energy: -62.006887
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -165.963944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.963944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.963944 (E_RNA)
where:
Base-Base interactions energy: -110.064
where: short stacking energy: -40.170
Base-Backbone interact. energy: -0.179
local terms energy: -55.721249
where:
bonds (distance) C4'-P energy: -6.938
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -171.065243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.065243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.065243 (E_RNA)
where:
Base-Base interactions energy: -111.840
where: short stacking energy: -40.642
Base-Backbone interact. energy: 0.258
local terms energy: -59.483362
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -84.560009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.560009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.560009 (E_RNA)
where:
Base-Base interactions energy: -28.074
where: short stacking energy: -28.003
Base-Backbone interact. energy: -0.898
local terms energy: -55.588185
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -3.384
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: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -100.453208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.453208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.453208 (E_RNA)
where:
Base-Base interactions energy: -40.149
where: short stacking energy: -33.244
Base-Backbone interact. energy: -0.258
local terms energy: -60.046448
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -7.003
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: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -85.903918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.903918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.903918 (E_RNA)
where:
Base-Base interactions energy: -32.862
where: short stacking energy: -30.024
Base-Backbone interact. energy: -0.360
local terms energy: -52.681970
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -5.271
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: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -225.164748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.164748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.164748 (E_RNA)
where:
Base-Base interactions energy: -147.685
where: short stacking energy: -71.050
Base-Backbone interact. energy: -0.067
local terms energy: -77.412166
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -222.670235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.670235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.670235 (E_RNA)
where:
Base-Base interactions energy: -145.913
where: short stacking energy: -71.834
Base-Backbone interact. energy: -0.067
local terms energy: -76.690180
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -208.850837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.850837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.850837 (E_RNA)
where:
Base-Base interactions energy: -135.291
where: short stacking energy: -56.529
Base-Backbone interact. energy: 0.239
local terms energy: -73.799404
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -170.249130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.249130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.249130 (E_RNA)
where:
Base-Base interactions energy: -114.546
where: short stacking energy: -54.629
Base-Backbone interact. energy: -0.253
local terms energy: -55.449746
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -190.214139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.214139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.214139 (E_RNA)
where:
Base-Base interactions energy: -123.834
where: short stacking energy: -56.604
Base-Backbone interact. energy: -0.569
local terms energy: -65.811742
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -174.320879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.320879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.320879 (E_RNA)
where:
Base-Base interactions energy: -110.648
where: short stacking energy: -56.685
Base-Backbone interact. energy: -0.006
local terms energy: -63.665953
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -186.049558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.049558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.049558 (E_RNA)
where:
Base-Base interactions energy: -119.905
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.004
local terms energy: -66.140094
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -7.329
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: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -82.137512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.137512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.137512 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -25.774
Base-Backbone interact. energy: -0.328
local terms energy: -48.675706
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -2.578
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: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -84.088123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.088123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.088123 (E_RNA)
where:
Base-Base interactions energy: -27.258
where: short stacking energy: -17.750
Base-Backbone interact. energy: -0.247
local terms energy: -56.582751
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -82.936245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.936245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.936245 (E_RNA)
where:
Base-Base interactions energy: -31.147
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.004
local terms energy: -51.786015
where:
bonds (distance) C4'-P energy: -7.554
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -228.102332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.102332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.102332 (E_RNA)
where:
Base-Base interactions energy: -150.714
where: short stacking energy: -70.496
Base-Backbone interact. energy: -0.017
local terms energy: -77.371496
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -9.058
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: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -218.311747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.311747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.311747 (E_RNA)
where:
Base-Base interactions energy: -146.064
where: short stacking energy: -61.985
Base-Backbone interact. energy: -0.004
local terms energy: -72.243749
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -10.380
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: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -215.831490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.831490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.831490 (E_RNA)
where:
Base-Base interactions energy: -141.237
where: short stacking energy: -63.552
Base-Backbone interact. energy: -0.222
local terms energy: -74.372561
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -8.701
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: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -202.076919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.076919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.076919 (E_RNA)
where:
Base-Base interactions energy: -129.854
where: short stacking energy: -57.723
Base-Backbone interact. energy: -0.410
local terms energy: -71.813005
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -17.762
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: 305
Temperature: 1.100000
Total energy: -174.878677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.878677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.878677 (E_RNA)
where:
Base-Base interactions energy: -105.151
where: short stacking energy: -51.486
Base-Backbone interact. energy: -0.589
local terms energy: -69.138728
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -177.944292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.944292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.944292 (E_RNA)
where:
Base-Base interactions energy: -124.505
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.323
local terms energy: -53.116268
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: -12.082
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: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -173.716504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.716504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.716504 (E_RNA)
where:
Base-Base interactions energy: -119.333
where: short stacking energy: -53.604
Base-Backbone interact. energy: -0.185
local terms energy: -54.198445
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -10.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -87.206689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.206689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.206689 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.210
local terms energy: -49.524307
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -110.929389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.929389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.929389 (E_RNA)
where:
Base-Base interactions energy: -60.928
where: short stacking energy: -29.034
Base-Backbone interact. energy: 0.158
local terms energy: -50.159407
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: 0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -85.099892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.099892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.099892 (E_RNA)
where:
Base-Base interactions energy: -31.788
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.797
local terms energy: -52.515039
where:
bonds (distance) C4'-P energy: -6.187
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -9.850
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: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -230.275121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.275121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.275121 (E_RNA)
where:
Base-Base interactions energy: -152.127
where: short stacking energy: -73.005
Base-Backbone interact. energy: -0.240
local terms energy: -77.908595
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -209.171962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.171962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.171962 (E_RNA)
where:
Base-Base interactions energy: -137.628
where: short stacking energy: -56.915
Base-Backbone interact. energy: -0.268
local terms energy: -71.275903
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -10.750
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: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -221.055417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.055417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.055417 (E_RNA)
where:
Base-Base interactions energy: -146.783
where: short stacking energy: -68.766
Base-Backbone interact. energy: -0.018
local terms energy: -74.253858
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -204.401834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.401834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.401834 (E_RNA)
where:
Base-Base interactions energy: -140.031
where: short stacking energy: -54.121
Base-Backbone interact. energy: 2.266
local terms energy: -66.637185
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -184.774233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.774233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.774233 (E_RNA)
where:
Base-Base interactions energy: -124.861
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.002
local terms energy: -59.910894
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -179.785674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.785674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.785674 (E_RNA)
where:
Base-Base interactions energy: -118.704
where: short stacking energy: -59.477
Base-Backbone interact. energy: -0.547
local terms energy: -60.534641
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -13.988
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: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -156.265428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.265428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.265428 (E_RNA)
where:
Base-Base interactions energy: -97.079
where: short stacking energy: -38.630
Base-Backbone interact. energy: -0.472
local terms energy: -58.713636
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -7.943
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: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -82.662593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.662593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.662593 (E_RNA)
where:
Base-Base interactions energy: -31.585
where: short stacking energy: -30.179
Base-Backbone interact. energy: -0.022
local terms energy: -51.055441
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -116.895754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.895754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.895754 (E_RNA)
where:
Base-Base interactions energy: -71.405
where: short stacking energy: -35.740
Base-Backbone interact. energy: -0.695
local terms energy: -44.795417
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -4.441
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: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -82.081701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.081701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.081701 (E_RNA)
where:
Base-Base interactions energy: -34.852
where: short stacking energy: -31.138
Base-Backbone interact. energy: -0.114
local terms energy: -47.116394
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -226.901845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.901845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.901845 (E_RNA)
where:
Base-Base interactions energy: -150.756
where: short stacking energy: -67.916
Base-Backbone interact. energy: -0.002
local terms energy: -76.143384
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -12.158
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: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -231.025471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.025471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.025471 (E_RNA)
where:
Base-Base interactions energy: -151.181
where: short stacking energy: -77.635
Base-Backbone interact. energy: -0.019
local terms energy: -79.825804
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -21.806
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: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -197.689388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.689388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.689388 (E_RNA)
where:
Base-Base interactions energy: -133.393
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.067
local terms energy: -64.229760
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -17.755
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: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -190.223481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.223481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.223481 (E_RNA)
where:
Base-Base interactions energy: -119.062
where: short stacking energy: -57.911
Base-Backbone interact. energy: -0.404
local terms energy: -70.757188
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -186.715813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.715813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.715813 (E_RNA)
where:
Base-Base interactions energy: -120.599
where: short stacking energy: -49.622
Base-Backbone interact. energy: -0.955
local terms energy: -65.161491
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -175.917938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.917938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.917938 (E_RNA)
where:
Base-Base interactions energy: -121.975
where: short stacking energy: -59.379
Base-Backbone interact. energy: 1.457
local terms energy: -55.399824
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -10.466
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: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -99.305194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.305194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.305194 (E_RNA)
where:
Base-Base interactions energy: -58.973
where: short stacking energy: -31.663
Base-Backbone interact. energy: -0.689
local terms energy: -39.643297
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -8.714
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -2.072
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: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -91.566729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.566729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.566729 (E_RNA)
where:
Base-Base interactions energy: -35.094
where: short stacking energy: -34.402
Base-Backbone interact. energy: -0.355
local terms energy: -56.118303
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -5.359
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: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -75.416232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.416232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.416232 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -18.040
Base-Backbone interact. energy: -0.178
local terms energy: -44.174340
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -3.014
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: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -75.253998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.253998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.253998 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -29.791
Base-Backbone interact. energy: -0.303
local terms energy: -43.471780
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -234.021819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.021819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.021819 (E_RNA)
where:
Base-Base interactions energy: -153.483
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.000
local terms energy: -80.538648
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -21.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -225.226393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.226393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.226393 (E_RNA)
where:
Base-Base interactions energy: -149.315
where: short stacking energy: -74.313
Base-Backbone interact. energy: -0.003
local terms energy: -75.908447
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -11.304
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: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -190.870912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.870912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.870912 (E_RNA)
where:
Base-Base interactions energy: -117.398
where: short stacking energy: -58.691
Base-Backbone interact. energy: -0.018
local terms energy: -73.455176
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -10.215
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: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -185.506532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.506532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.506532 (E_RNA)
where:
Base-Base interactions energy: -122.282
where: short stacking energy: -53.872
Base-Backbone interact. energy: -0.129
local terms energy: -63.094999
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -175.071122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.071122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.071122 (E_RNA)
where:
Base-Base interactions energy: -113.698
where: short stacking energy: -41.941
Base-Backbone interact. energy: -0.778
local terms energy: -60.595141
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -188.223010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.223010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.223010 (E_RNA)
where:
Base-Base interactions energy: -123.803
where: short stacking energy: -50.907
Base-Backbone interact. energy: -0.198
local terms energy: -64.221914
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -96.293244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.293244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.293244 (E_RNA)
where:
Base-Base interactions energy: -48.332
where: short stacking energy: -42.224
Base-Backbone interact. energy: -0.073
local terms energy: -47.888399
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -2.654
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -86.175156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.175156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.175156 (E_RNA)
where:
Base-Base interactions energy: -29.857
where: short stacking energy: -28.762
Base-Backbone interact. energy: 1.945
local terms energy: -58.263213
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -73.172311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.172311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.172311 (E_RNA)
where:
Base-Base interactions energy: -20.197
where: short stacking energy: -17.948
Base-Backbone interact. energy: 0.402
local terms energy: -53.376951
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -7.821
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: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -74.098650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.098650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.098650 (E_RNA)
where:
Base-Base interactions energy: -32.040
where: short stacking energy: -13.492
Base-Backbone interact. energy: -0.145
local terms energy: -41.914109
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -8.584
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: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -230.087465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.087465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.087465 (E_RNA)
where:
Base-Base interactions energy: -152.130
where: short stacking energy: -77.231
Base-Backbone interact. energy: -0.000
local terms energy: -77.957399
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -198.218753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.218753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.218753 (E_RNA)
where:
Base-Base interactions energy: -124.241
where: short stacking energy: -63.856
Base-Backbone interact. energy: -0.003
local terms energy: -73.974767
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -10.922
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: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -215.159904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.159904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.159904 (E_RNA)
where:
Base-Base interactions energy: -137.358
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.239
local terms energy: -77.563459
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -21.334
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: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -190.593949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.593949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.593949 (E_RNA)
where:
Base-Base interactions energy: -131.345
where: short stacking energy: -50.864
Base-Backbone interact. energy: -0.019
local terms energy: -59.230648
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -184.614749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.614749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.614749 (E_RNA)
where:
Base-Base interactions energy: -117.913
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.014
local terms energy: -66.687000
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -174.929772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.929772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.929772 (E_RNA)
where:
Base-Base interactions energy: -118.807
where: short stacking energy: -48.752
Base-Backbone interact. energy: -0.351
local terms energy: -55.771816
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -95.054022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.054022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.054022 (E_RNA)
where:
Base-Base interactions energy: -47.095
where: short stacking energy: -46.307
Base-Backbone interact. energy: -0.116
local terms energy: -47.842793
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -87.481345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.481345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.481345 (E_RNA)
where:
Base-Base interactions energy: -41.775
where: short stacking energy: -41.975
Base-Backbone interact. energy: 3.859
local terms energy: -49.565806
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -6.266
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: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -83.476316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.476316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.476316 (E_RNA)
where:
Base-Base interactions energy: -30.039
where: short stacking energy: -30.039
Base-Backbone interact. energy: 0.010
local terms energy: -53.447004
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -79.288850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.288850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.288850 (E_RNA)
where:
Base-Base interactions energy: -24.803
where: short stacking energy: -20.548
Base-Backbone interact. energy: -0.112
local terms energy: -54.373437
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: 0.589
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: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -233.313215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.313215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.313215 (E_RNA)
where:
Base-Base interactions energy: -151.736
where: short stacking energy: -77.105
Base-Backbone interact. energy: -0.009
local terms energy: -81.568446
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -203.879273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.879273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.879273 (E_RNA)
where:
Base-Base interactions energy: -130.018
where: short stacking energy: -70.398
Base-Backbone interact. energy: -0.006
local terms energy: -73.855373
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -10.651
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: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -207.760030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.760030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.760030 (E_RNA)
where:
Base-Base interactions energy: -133.623
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.249
local terms energy: -73.888363
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -9.337
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: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -206.702807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.702807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.702807 (E_RNA)
where:
Base-Base interactions energy: -141.037
where: short stacking energy: -67.607
Base-Backbone interact. energy: 0.447
local terms energy: -66.112396
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -8.827
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: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -173.361602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.361602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.361602 (E_RNA)
where:
Base-Base interactions energy: -110.512
where: short stacking energy: -46.792
Base-Backbone interact. energy: -0.211
local terms energy: -62.638022
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -169.132094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.132094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.132094 (E_RNA)
where:
Base-Base interactions energy: -117.693
where: short stacking energy: -51.552
Base-Backbone interact. energy: 1.648
local terms energy: -53.087192
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -9.547
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: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -84.548773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.548773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.548773 (E_RNA)
where:
Base-Base interactions energy: -36.254
where: short stacking energy: -36.254
Base-Backbone interact. energy: -0.255
local terms energy: -48.039300
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -5.756
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: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -79.156819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.156819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.156819 (E_RNA)
where:
Base-Base interactions energy: -35.537
where: short stacking energy: -31.231
Base-Backbone interact. energy: -0.330
local terms energy: -43.289481
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -3.535
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: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -121.310210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.310210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.310210 (E_RNA)
where:
Base-Base interactions energy: -55.820
where: short stacking energy: -29.615
Base-Backbone interact. energy: -0.110
local terms energy: -65.380071
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -6.554
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: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -82.365389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.365389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.365389 (E_RNA)
where:
Base-Base interactions energy: -29.371
where: short stacking energy: -22.629
Base-Backbone interact. energy: -0.006
local terms energy: -52.988185
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -5.458
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: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -234.886221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.886221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.886221 (E_RNA)
where:
Base-Base interactions energy: -153.365
where: short stacking energy: -77.340
Base-Backbone interact. energy: -0.024
local terms energy: -81.497097
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -20.416
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: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -216.627427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.627427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.627427 (E_RNA)
where:
Base-Base interactions energy: -140.523
where: short stacking energy: -62.998
Base-Backbone interact. energy: -0.267
local terms energy: -75.837257
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -196.248812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.248812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.248812 (E_RNA)
where:
Base-Base interactions energy: -127.357
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.112
local terms energy: -68.779899
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -13.917
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: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -206.319329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.319329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.319329 (E_RNA)
where:
Base-Base interactions energy: -134.358
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.223
local terms energy: -71.738629
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -10.528
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: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -174.257820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.257820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.257820 (E_RNA)
where:
Base-Base interactions energy: -118.220
where: short stacking energy: -51.060
Base-Backbone interact. energy: -0.061
local terms energy: -55.976525
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -10.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -157.980999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.980999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.980999 (E_RNA)
where:
Base-Base interactions energy: -102.339
where: short stacking energy: -40.680
Base-Backbone interact. energy: -0.277
local terms energy: -55.364118
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -7.268
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: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -89.845402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.845402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.845402 (E_RNA)
where:
Base-Base interactions energy: -43.649
where: short stacking energy: -33.649
Base-Backbone interact. energy: -0.042
local terms energy: -46.154943
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -8.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -124.405552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.405552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.405552 (E_RNA)
where:
Base-Base interactions energy: -68.001
where: short stacking energy: -35.094
Base-Backbone interact. energy: -0.095
local terms energy: -56.309188
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -88.924945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.924945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.924945 (E_RNA)
where:
Base-Base interactions energy: -41.884
where: short stacking energy: -17.164
Base-Backbone interact. energy: -0.564
local terms energy: -46.476724
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -8.491
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -71.685823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.685823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.685823 (E_RNA)
where:
Base-Base interactions energy: -16.470
where: short stacking energy: -16.470
Base-Backbone interact. energy: -0.073
local terms energy: -55.142669
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -7.053
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: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -236.034861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.034861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.034861 (E_RNA)
where:
Base-Base interactions energy: -157.241
where: short stacking energy: -77.750
Base-Backbone interact. energy: -0.076
local terms energy: -78.718191
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -215.480441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.480441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.480441 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -62.771
Base-Backbone interact. energy: -1.202
local terms energy: -74.053065
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -215.627057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.627057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.627057 (E_RNA)
where:
Base-Base interactions energy: -138.499
where: short stacking energy: -67.855
Base-Backbone interact. energy: -0.199
local terms energy: -76.929604
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -184.590528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.590528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.590528 (E_RNA)
where:
Base-Base interactions energy: -120.725
where: short stacking energy: -55.746
Base-Backbone interact. energy: -0.004
local terms energy: -63.861785
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -11.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -189.879365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.879365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.879365 (E_RNA)
where:
Base-Base interactions energy: -118.586
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.696
local terms energy: -70.598134
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -9.688
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: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -169.676913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.676913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.676913 (E_RNA)
where:
Base-Base interactions energy: -110.861
where: short stacking energy: -41.779
Base-Backbone interact. energy: 0.034
local terms energy: -58.850026
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -9.985
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: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -123.648514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.648514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.648514 (E_RNA)
where:
Base-Base interactions energy: -68.031
where: short stacking energy: -35.323
Base-Backbone interact. energy: -0.024
local terms energy: -55.593476
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -89.472803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.472803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.472803 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -26.100
Base-Backbone interact. energy: -0.347
local terms energy: -60.036952
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -97.844132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.844132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.844132 (E_RNA)
where:
Base-Base interactions energy: -49.782
where: short stacking energy: -22.001
Base-Backbone interact. energy: -0.251
local terms energy: -47.811138
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -0.497
tors. eta vs tors. theta energy: -2.268
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: 312
Temperature: 1.350000
Total energy: -72.363736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.363736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.363736 (E_RNA)
where:
Base-Base interactions energy: -34.902
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.339
local terms energy: -37.122944
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -5.101
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -235.896931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.896931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.896931 (E_RNA)
where:
Base-Base interactions energy: -156.906
where: short stacking energy: -74.641
Base-Backbone interact. energy: -0.000
local terms energy: -78.990300
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -213.252946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.252946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.252946 (E_RNA)
where:
Base-Base interactions energy: -145.379
where: short stacking energy: -68.104
Base-Backbone interact. energy: -0.330
local terms energy: -67.543946
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -11.441
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: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -205.233248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.233248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.233248 (E_RNA)
where:
Base-Base interactions energy: -131.636
where: short stacking energy: -69.297
Base-Backbone interact. energy: -0.555
local terms energy: -73.043165
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -190.277228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.277228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.277228 (E_RNA)
where:
Base-Base interactions energy: -121.268
where: short stacking energy: -53.137
Base-Backbone interact. energy: -0.132
local terms energy: -68.877268
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -186.897029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.897029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.897029 (E_RNA)
where:
Base-Base interactions energy: -119.862
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.194
local terms energy: -66.840584
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -170.116630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.116630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.116630 (E_RNA)
where:
Base-Base interactions energy: -121.888
where: short stacking energy: -47.430
Base-Backbone interact. energy: 0.392
local terms energy: -48.620732
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -122.712026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.712026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.712026 (E_RNA)
where:
Base-Base interactions energy: -77.082
where: short stacking energy: -37.261
Base-Backbone interact. energy: -0.229
local terms energy: -45.401152
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -2.047
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: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -87.989635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.989635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.989635 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.056
local terms energy: -52.974200
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -87.384038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.384038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.384038 (E_RNA)
where:
Base-Base interactions energy: -30.860
where: short stacking energy: -21.529
Base-Backbone interact. energy: -0.348
local terms energy: -56.176219
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: 0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -79.413310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.413310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.413310 (E_RNA)
where:
Base-Base interactions energy: -24.917
where: short stacking energy: -22.564
Base-Backbone interact. energy: -0.076
local terms energy: -54.420173
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: 0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -234.793175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.793175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.793175 (E_RNA)
where:
Base-Base interactions energy: -159.715
where: short stacking energy: -77.691
Base-Backbone interact. energy: -0.027
local terms energy: -75.050211
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -206.841333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.841333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.841333 (E_RNA)
where:
Base-Base interactions energy: -134.236
where: short stacking energy: -55.357
Base-Backbone interact. energy: -2.113
local terms energy: -70.492836
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -12.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -218.819176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.819176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.819176 (E_RNA)
where:
Base-Base interactions energy: -140.240
where: short stacking energy: -67.993
Base-Backbone interact. energy: -0.072
local terms energy: -78.508026
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -191.688805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.688805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.688805 (E_RNA)
where:
Base-Base interactions energy: -119.824
where: short stacking energy: -53.269
Base-Backbone interact. energy: -1.420
local terms energy: -70.444988
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -191.926874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.926874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.926874 (E_RNA)
where:
Base-Base interactions energy: -123.052
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.009
local terms energy: -68.866559
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -170.035376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.035376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.035376 (E_RNA)
where:
Base-Base interactions energy: -105.313
where: short stacking energy: -44.420
Base-Backbone interact. energy: -0.423
local terms energy: -64.299333
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -105.643491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.643491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.643491 (E_RNA)
where:
Base-Base interactions energy: -58.714
where: short stacking energy: -38.467
Base-Backbone interact. energy: 3.142
local terms energy: -50.071791
where:
bonds (distance) C4'-P energy: -4.707
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -11.991
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: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -130.791291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.791291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.791291 (E_RNA)
where:
Base-Base interactions energy: -76.514
where: short stacking energy: -37.731
Base-Backbone interact. energy: -0.122
local terms energy: -54.155221
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -81.219422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.219422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.219422 (E_RNA)
where:
Base-Base interactions energy: -23.922
where: short stacking energy: -23.922
Base-Backbone interact. energy: -0.029
local terms energy: -57.268131
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -83.432626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.432626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.432626 (E_RNA)
where:
Base-Base interactions energy: -38.494
where: short stacking energy: -26.302
Base-Backbone interact. energy: -0.121
local terms energy: -44.817705
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -234.692167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.692167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.692167 (E_RNA)
where:
Base-Base interactions energy: -154.510
where: short stacking energy: -77.812
Base-Backbone interact. energy: 0.317
local terms energy: -80.499094
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -18.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -228.060133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.060133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.060133 (E_RNA)
where:
Base-Base interactions energy: -151.973
where: short stacking energy: -74.365
Base-Backbone interact. energy: 0.318
local terms energy: -76.405184
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -12.103
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: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -198.305442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.305442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.305442 (E_RNA)
where:
Base-Base interactions energy: -136.604
where: short stacking energy: -52.851
Base-Backbone interact. energy: -0.841
local terms energy: -60.860529
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -9.346
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: 4, replica: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -190.147190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.147190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.147190 (E_RNA)
where:
Base-Base interactions energy: -122.278
where: short stacking energy: -59.313
Base-Backbone interact. energy: -0.124
local terms energy: -67.746000
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -6.811
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: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -186.314945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.314945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.314945 (E_RNA)
where:
Base-Base interactions energy: -123.003
where: short stacking energy: -54.018
Base-Backbone interact. energy: -0.582
local terms energy: -62.730611
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -148.271278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.271278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.271278 (E_RNA)
where:
Base-Base interactions energy: -98.323
where: short stacking energy: -37.944
Base-Backbone interact. energy: -0.169
local terms energy: -49.779803
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -2.143
tors. eta vs tors. theta energy: -10.149
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: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -103.288158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.288158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.288158 (E_RNA)
where:
Base-Base interactions energy: -46.338
where: short stacking energy: -36.352
Base-Backbone interact. energy: -2.073
local terms energy: -54.877472
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -5.995
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: 315
Temperature: 1.250000
Total energy: -135.398035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.398035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.398035 (E_RNA)
where:
Base-Base interactions energy: -68.689
where: short stacking energy: -38.634
Base-Backbone interact. energy: -1.158
local terms energy: -65.551461
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -72.783321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.783321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.783321 (E_RNA)
where:
Base-Base interactions energy: -23.426
where: short stacking energy: -23.426
Base-Backbone interact. energy: -0.059
local terms energy: -49.298333
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: 0.382
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: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -83.596306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.596306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.596306 (E_RNA)
where:
Base-Base interactions energy: -33.737
where: short stacking energy: -20.042
Base-Backbone interact. energy: 0.574
local terms energy: -50.432874
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -7.616
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -2.455
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: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -234.886389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.886389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.886389 (E_RNA)
where:
Base-Base interactions energy: -153.256
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.002
local terms energy: -81.629060
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -21.449
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: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -225.186562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.186562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.186562 (E_RNA)
where:
Base-Base interactions energy: -147.866
where: short stacking energy: -71.728
Base-Backbone interact. energy: -0.000
local terms energy: -77.319761
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -21.625
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: 316
Temperature: 1.000000
Total energy: -194.597486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.597486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.597486 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -55.265
Base-Backbone interact. energy: 0.623
local terms energy: -66.264239
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -201.547927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.547927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.547927 (E_RNA)
where:
Base-Base interactions energy: -131.460
where: short stacking energy: -57.536
Base-Backbone interact. energy: -1.453
local terms energy: -68.635059
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -184.473549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.473549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.473549 (E_RNA)
where:
Base-Base interactions energy: -116.257
where: short stacking energy: -52.863
Base-Backbone interact. energy: -0.090
local terms energy: -68.126962
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -133.015096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.015096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.015096 (E_RNA)
where:
Base-Base interactions energy: -75.151
where: short stacking energy: -34.794
Base-Backbone interact. energy: -0.414
local terms energy: -57.449364
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -6.580
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: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -126.080439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.080439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.080439 (E_RNA)
where:
Base-Base interactions energy: -69.032
where: short stacking energy: -35.060
Base-Backbone interact. energy: -0.069
local terms energy: -56.979567
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -8.311
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: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -96.531893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.531893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.531893 (E_RNA)
where:
Base-Base interactions energy: -40.687
where: short stacking energy: -24.048
Base-Backbone interact. energy: -0.495
local terms energy: -55.348937
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -81.590241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.590241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.590241 (E_RNA)
where:
Base-Base interactions energy: -31.083
where: short stacking energy: -30.088
Base-Backbone interact. energy: -0.228
local terms energy: -50.278997
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -88.419616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.419616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.419616 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -28.655
Base-Backbone interact. energy: -0.003
local terms energy: -52.282544
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -6.008
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: 317
Temperature: 0.900000
Total energy: -227.864214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.864214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.864214 (E_RNA)
where:
Base-Base interactions energy: -149.812
where: short stacking energy: -75.187
Base-Backbone interact. energy: -0.106
local terms energy: -77.946698
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -205.517117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.517117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.517117 (E_RNA)
where:
Base-Base interactions energy: -127.136
where: short stacking energy: -57.667
Base-Backbone interact. energy: -0.135
local terms energy: -78.245747
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -11.015
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: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -215.419428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.419428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.419428 (E_RNA)
where:
Base-Base interactions energy: -148.208
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.004
local terms energy: -67.207923
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -208.976874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.976874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.976874 (E_RNA)
where:
Base-Base interactions energy: -138.039
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.440
local terms energy: -70.497426
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.176
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: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -175.691075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.691075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.691075 (E_RNA)
where:
Base-Base interactions energy: -118.078
where: short stacking energy: -58.167
Base-Backbone interact. energy: -0.334
local terms energy: -57.278971
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -10.320
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: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -137.582389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.582389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.582389 (E_RNA)
where:
Base-Base interactions energy: -90.555
where: short stacking energy: -34.592
Base-Backbone interact. energy: -1.199
local terms energy: -45.827548
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -7.625
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: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -126.744803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.744803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.744803 (E_RNA)
where:
Base-Base interactions energy: -76.327
where: short stacking energy: -42.635
Base-Backbone interact. energy: -0.184
local terms energy: -50.233791
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -87.412147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.412147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.412147 (E_RNA)
where:
Base-Base interactions energy: -37.274
where: short stacking energy: -35.350
Base-Backbone interact. energy: -0.070
local terms energy: -50.069057
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -86.803660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.803660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.803660 (E_RNA)
where:
Base-Base interactions energy: -38.899
where: short stacking energy: -32.395
Base-Backbone interact. energy: -0.053
local terms energy: -47.851907
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -0.955
tors. eta vs tors. theta energy: -9.960
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: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -81.707715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.707715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.707715 (E_RNA)
where:
Base-Base interactions energy: -36.665
where: short stacking energy: -21.152
Base-Backbone interact. energy: -0.808
local terms energy: -44.234543
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: 0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -234.625335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.625335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.625335 (E_RNA)
where:
Base-Base interactions energy: -152.939
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.412
local terms energy: -81.273741
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -204.433203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.433203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.433203 (E_RNA)
where:
Base-Base interactions energy: -130.653
where: short stacking energy: -60.815
Base-Backbone interact. energy: -0.101
local terms energy: -73.679125
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -211.696873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.696873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.696873 (E_RNA)
where:
Base-Base interactions energy: -143.193
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.633
local terms energy: -67.870961
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -16.626
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: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -211.355952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.355952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.355952 (E_RNA)
where:
Base-Base interactions energy: -141.067
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.437
local terms energy: -69.851844
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -157.670437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.670437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.670437 (E_RNA)
where:
Base-Base interactions energy: -91.906
where: short stacking energy: -46.129
Base-Backbone interact. energy: -0.105
local terms energy: -65.659570
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -12.985
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: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -181.947144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.947144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.947144 (E_RNA)
where:
Base-Base interactions energy: -116.050
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.071
local terms energy: -65.825697
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -6.938
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: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -110.210791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.210791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.210791 (E_RNA)
where:
Base-Base interactions energy: -58.369
where: short stacking energy: -32.036
Base-Backbone interact. energy: -0.329
local terms energy: -51.513179
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -3.094
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: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -90.748794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.748794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.748794 (E_RNA)
where:
Base-Base interactions energy: -41.052
where: short stacking energy: -23.191
Base-Backbone interact. energy: 0.753
local terms energy: -50.450072
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -11.167
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: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -84.578544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.578544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.578544 (E_RNA)
where:
Base-Base interactions energy: -39.122
where: short stacking energy: -39.255
Base-Backbone interact. energy: -0.053
local terms energy: -45.403658
where:
bonds (distance) C4'-P energy: -7.486
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -73.691561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.691561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.691561 (E_RNA)
where:
Base-Base interactions energy: -28.600
where: short stacking energy: -25.566
Base-Backbone interact. energy: -0.463
local terms energy: -44.628803
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -7.233
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -220.228301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.228301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.228301 (E_RNA)
where:
Base-Base interactions energy: -144.095
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.005
local terms energy: -76.128222
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -21.744
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: 319
Temperature: 0.950000
Total energy: -218.451840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.451840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.451840 (E_RNA)
where:
Base-Base interactions energy: -146.856
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.875
local terms energy: -70.721259
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -197.217508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.217508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.217508 (E_RNA)
where:
Base-Base interactions energy: -125.503
where: short stacking energy: -57.515
Base-Backbone interact. energy: -0.024
local terms energy: -71.690159
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -208.480567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.480567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.480567 (E_RNA)
where:
Base-Base interactions energy: -152.610
where: short stacking energy: -57.029
Base-Backbone interact. energy: 0.986
local terms energy: -56.857014
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -172.361414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.361414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.361414 (E_RNA)
where:
Base-Base interactions energy: -95.986
where: short stacking energy: -63.198
Base-Backbone interact. energy: -0.002
local terms energy: -76.372959
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.244
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: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -178.810303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.810303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.810303 (E_RNA)
where:
Base-Base interactions energy: -119.119
where: short stacking energy: -59.520
Base-Backbone interact. energy: 0.464
local terms energy: -60.155496
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -87.968996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.968996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.968996 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -31.990
Base-Backbone interact. energy: -0.402
local terms energy: -46.902815
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -2.183
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: 319
Temperature: 1.250000
Total energy: -95.029015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.029015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.029015 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -41.405
Base-Backbone interact. energy: -0.586
local terms energy: -53.038575
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -8.884
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: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -101.579953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.579953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.579953 (E_RNA)
where:
Base-Base interactions energy: -45.162
where: short stacking energy: -35.863
Base-Backbone interact. energy: 0.215
local terms energy: -56.632804
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -7.030
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -74.905394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.905394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.905394 (E_RNA)
where:
Base-Base interactions energy: -26.825
where: short stacking energy: -24.390
Base-Backbone interact. energy: 0.865
local terms energy: -48.946143
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -229.546452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.546452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.546452 (E_RNA)
where:
Base-Base interactions energy: -154.761
where: short stacking energy: -78.906
Base-Backbone interact. energy: -0.078
local terms energy: -74.707658
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.704
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: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -222.309728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.309728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.309728 (E_RNA)
where:
Base-Base interactions energy: -149.917
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.122
local terms energy: -72.270177
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -206.907533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.907533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.907533 (E_RNA)
where:
Base-Base interactions energy: -149.990
where: short stacking energy: -56.041
Base-Backbone interact. energy: 0.512
local terms energy: -57.429157
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -186.494771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.494771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.494771 (E_RNA)
where:
Base-Base interactions energy: -120.800
where: short stacking energy: -62.957
Base-Backbone interact. energy: -0.017
local terms energy: -65.678535
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -189.570063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.570063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.570063 (E_RNA)
where:
Base-Base interactions energy: -124.293
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.000
local terms energy: -65.276285
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -176.274647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.274647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.274647 (E_RNA)
where:
Base-Base interactions energy: -113.833
where: short stacking energy: -58.558
Base-Backbone interact. energy: 0.490
local terms energy: -62.932178
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -14.056
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: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -87.935065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.935065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.935065 (E_RNA)
where:
Base-Base interactions energy: -35.420
where: short stacking energy: -35.420
Base-Backbone interact. energy: 5.842
local terms energy: -58.356879
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -95.863612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.863612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.863612 (E_RNA)
where:
Base-Base interactions energy: -39.450
where: short stacking energy: -39.450
Base-Backbone interact. energy: 0.035
local terms energy: -56.448669
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -5.752
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: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -89.157822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.157822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.157822 (E_RNA)
where:
Base-Base interactions energy: -38.141
where: short stacking energy: -38.141
Base-Backbone interact. energy: -0.067
local terms energy: -50.949775
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -77.743072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.743072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.743072 (E_RNA)
where:
Base-Base interactions energy: -22.588
where: short stacking energy: -18.196
Base-Backbone interact. energy: -0.278
local terms energy: -54.877079
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -228.478189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.478189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.478189 (E_RNA)
where:
Base-Base interactions energy: -151.026
where: short stacking energy: -72.149
Base-Backbone interact. energy: -0.020
local terms energy: -77.432478
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.061
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: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -226.327784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.327784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.327784 (E_RNA)
where:
Base-Base interactions energy: -151.123
where: short stacking energy: -70.970
Base-Backbone interact. energy: -0.002
local terms energy: -75.202097
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -12.603
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: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -203.877740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.877740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.877740 (E_RNA)
where:
Base-Base interactions energy: -140.650
where: short stacking energy: -52.658
Base-Backbone interact. energy: -0.469
local terms energy: -62.759141
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -8.593
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: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -187.621507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.621507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.621507 (E_RNA)
where:
Base-Base interactions energy: -131.433
where: short stacking energy: -55.657
Base-Backbone interact. energy: 0.441
local terms energy: -56.629897
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -181.939355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.939355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.939355 (E_RNA)
where:
Base-Base interactions energy: -114.645
where: short stacking energy: -50.860
Base-Backbone interact. energy: -0.192
local terms energy: -67.102673
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -12.506
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: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -157.183193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.183193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.183193 (E_RNA)
where:
Base-Base interactions energy: -94.493
where: short stacking energy: -48.169
Base-Backbone interact. energy: -0.169
local terms energy: -62.521028
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -87.843722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.843722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.843722 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -33.702
Base-Backbone interact. energy: -0.182
local terms energy: -53.764380
where:
bonds (distance) C4'-P energy: -8.823
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -1.518
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: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -106.270075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.270075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.270075 (E_RNA)
where:
Base-Base interactions energy: -42.434
where: short stacking energy: -40.540
Base-Backbone interact. energy: -0.008
local terms energy: -63.827939
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -82.333282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.333282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.333282 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -27.732
Base-Backbone interact. energy: -0.188
local terms energy: -54.413776
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -2.597
tors. eta vs tors. theta energy: -8.622
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: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -75.891243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.891243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.891243 (E_RNA)
where:
Base-Base interactions energy: -27.423
where: short stacking energy: -21.824
Base-Backbone interact. energy: -1.258
local terms energy: -47.210874
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -2.126
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: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -232.688837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.688837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.688837 (E_RNA)
where:
Base-Base interactions energy: -154.770
where: short stacking energy: -75.525
Base-Backbone interact. energy: -0.039
local terms energy: -77.879640
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -13.316
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: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -227.960607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.960607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.960607 (E_RNA)
where:
Base-Base interactions energy: -147.856
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.956
local terms energy: -79.149212
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -207.244639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.244639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.244639 (E_RNA)
where:
Base-Base interactions energy: -143.591
where: short stacking energy: -54.352
Base-Backbone interact. energy: -0.472
local terms energy: -63.181175
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -186.198398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.198398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.198398 (E_RNA)
where:
Base-Base interactions energy: -123.142
where: short stacking energy: -64.887
Base-Backbone interact. energy: -0.170
local terms energy: -62.886829
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -180.860681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.860681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.860681 (E_RNA)
where:
Base-Base interactions energy: -116.990
where: short stacking energy: -60.194
Base-Backbone interact. energy: -0.082
local terms energy: -63.789565
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -149.901499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.901499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.901499 (E_RNA)
where:
Base-Base interactions energy: -86.060
where: short stacking energy: -55.078
Base-Backbone interact. energy: -0.005
local terms energy: -63.835583
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -91.244667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.244667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.244667 (E_RNA)
where:
Base-Base interactions energy: -32.102
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.245
local terms energy: -58.897557
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -1.078
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: 322
Temperature: 1.250000
Total energy: -74.454273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.454273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.454273 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -26.500
Base-Backbone interact. energy: -1.541
local terms energy: -43.387112
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: 3.419
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: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -78.566054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.566054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.566054 (E_RNA)
where:
Base-Base interactions energy: -32.428
where: short stacking energy: -32.428
Base-Backbone interact. energy: -0.127
local terms energy: -46.010972
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -2.763
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -78.877597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.877597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.877597 (E_RNA)
where:
Base-Base interactions energy: -29.297
where: short stacking energy: -27.815
Base-Backbone interact. energy: -0.187
local terms energy: -49.394113
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: 0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -231.572577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.572577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.572577 (E_RNA)
where:
Base-Base interactions energy: -152.823
where: short stacking energy: -78.950
Base-Backbone interact. energy: -0.042
local terms energy: -78.707014
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -231.492520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.492520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.492520 (E_RNA)
where:
Base-Base interactions energy: -148.574
where: short stacking energy: -68.103
Base-Backbone interact. energy: -0.185
local terms energy: -82.734039
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -11.222
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: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -216.347174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.347174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.347174 (E_RNA)
where:
Base-Base interactions energy: -146.680
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.391
local terms energy: -69.275451
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -177.963346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.963346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.963346 (E_RNA)
where:
Base-Base interactions energy: -115.864
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.034
local terms energy: -62.065359
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -186.889358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.889358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.889358 (E_RNA)
where:
Base-Base interactions energy: -121.354
where: short stacking energy: -44.054
Base-Backbone interact. energy: -0.112
local terms energy: -65.423053
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -13.390
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: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -141.324805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.324805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.324805 (E_RNA)
where:
Base-Base interactions energy: -83.240
where: short stacking energy: -42.528
Base-Backbone interact. energy: -0.019
local terms energy: -58.065354
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -9.353
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: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -91.657736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.657736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.657736 (E_RNA)
where:
Base-Base interactions energy: -39.680
where: short stacking energy: -33.997
Base-Backbone interact. energy: -0.050
local terms energy: -51.927502
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -6.266
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: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -113.664550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.664550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.664550 (E_RNA)
where:
Base-Base interactions energy: -53.126
where: short stacking energy: -42.445
Base-Backbone interact. energy: -0.125
local terms energy: -60.413637
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -8.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -79.619274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.619274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.619274 (E_RNA)
where:
Base-Base interactions energy: -24.736
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.174
local terms energy: -54.709126
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -2.180
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: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -72.911389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.911389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.911389 (E_RNA)
where:
Base-Base interactions energy: -25.043
where: short stacking energy: -20.882
Base-Backbone interact. energy: -0.188
local terms energy: -47.680040
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: 0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -229.791182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.791182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.791182 (E_RNA)
where:
Base-Base interactions energy: -148.376
where: short stacking energy: -68.923
Base-Backbone interact. energy: -0.099
local terms energy: -81.316110
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -220.779682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.779682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.779682 (E_RNA)
where:
Base-Base interactions energy: -145.421
where: short stacking energy: -70.134
Base-Backbone interact. energy: -0.007
local terms energy: -75.351088
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -12.730
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: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -208.649676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.649676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.649676 (E_RNA)
where:
Base-Base interactions energy: -142.325
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.400
local terms energy: -65.924380
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -12.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -200.065099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.065099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.065099 (E_RNA)
where:
Base-Base interactions energy: -127.563
where: short stacking energy: -50.663
Base-Backbone interact. energy: -0.488
local terms energy: -72.013656
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -11.987
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: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -188.232936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.232936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.232936 (E_RNA)
where:
Base-Base interactions energy: -119.833
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.072
local terms energy: -68.328553
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -13.327
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: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -144.005993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.005993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.005993 (E_RNA)
where:
Base-Base interactions energy: -87.189
where: short stacking energy: -51.292
Base-Backbone interact. energy: 0.383
local terms energy: -57.200140
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -9.829
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -115.401357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.401357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.401357 (E_RNA)
where:
Base-Base interactions energy: -63.447
where: short stacking energy: -30.118
Base-Backbone interact. energy: -0.568
local terms energy: -51.385619
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -10.705
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: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -87.899799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.899799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.899799 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -35.235
Base-Backbone interact. energy: -0.055
local terms energy: -52.610021
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -7.732
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: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -80.384619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.384619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.384619 (E_RNA)
where:
Base-Base interactions energy: -29.703
where: short stacking energy: -29.703
Base-Backbone interact. energy: -0.573
local terms energy: -50.108253
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -70.551066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.551066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.551066 (E_RNA)
where:
Base-Base interactions energy: -19.680
where: short stacking energy: -19.680
Base-Backbone interact. energy: -0.399
local terms energy: -50.471825
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -216.625863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.625863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.625863 (E_RNA)
where:
Base-Base interactions energy: -148.164
where: short stacking energy: -63.369
Base-Backbone interact. energy: -0.188
local terms energy: -68.273223
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -213.650775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.650775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.650775 (E_RNA)
where:
Base-Base interactions energy: -140.039
where: short stacking energy: -62.863
Base-Backbone interact. energy: -0.262
local terms energy: -73.350138
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -213.056649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.056649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.056649 (E_RNA)
where:
Base-Base interactions energy: -140.671
where: short stacking energy: -71.673
Base-Backbone interact. energy: -0.466
local terms energy: -71.919559
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -194.639475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.639475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.639475 (E_RNA)
where:
Base-Base interactions energy: -126.501
where: short stacking energy: -47.092
Base-Backbone interact. energy: 0.404
local terms energy: -68.542337
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -183.420609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.420609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.420609 (E_RNA)
where:
Base-Base interactions energy: -117.671
where: short stacking energy: -53.466
Base-Backbone interact. energy: -0.591
local terms energy: -65.158558
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -11.464
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: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -142.880965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.880965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.880965 (E_RNA)
where:
Base-Base interactions energy: -80.015
where: short stacking energy: -47.496
Base-Backbone interact. energy: -0.013
local terms energy: -62.852181
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -110.925853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.925853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.925853 (E_RNA)
where:
Base-Base interactions energy: -66.133
where: short stacking energy: -37.046
Base-Backbone interact. energy: 0.372
local terms energy: -45.164554
where:
bonds (distance) C4'-P energy: -6.817
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -1.834
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: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -84.943850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.943850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.943850 (E_RNA)
where:
Base-Base interactions energy: -28.379
where: short stacking energy: -26.941
Base-Backbone interact. energy: -0.412
local terms energy: -56.153554
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -3.480
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: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -84.541855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.541855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.541855 (E_RNA)
where:
Base-Base interactions energy: -27.585
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.110
local terms energy: -56.847219
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -74.328412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.328412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.328412 (E_RNA)
where:
Base-Base interactions energy: -31.177
where: short stacking energy: -21.737
Base-Backbone interact. energy: -0.119
local terms energy: -43.032301
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: 0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -219.134298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.134298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.134298 (E_RNA)
where:
Base-Base interactions energy: -151.579
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.484
local terms energy: -67.072179
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -221.654940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.654940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.654940 (E_RNA)
where:
Base-Base interactions energy: -148.019
where: short stacking energy: -74.326
Base-Backbone interact. energy: -0.032
local terms energy: -73.603743
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -18.959
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: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -202.274200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.274200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.274200 (E_RNA)
where:
Base-Base interactions energy: -133.351
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.028
local terms energy: -68.895283
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -10.758
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: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -185.203894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.203894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.203894 (E_RNA)
where:
Base-Base interactions energy: -123.903
where: short stacking energy: -63.152
Base-Backbone interact. energy: -0.672
local terms energy: -60.629007
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -14.131
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: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -156.735785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.735785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.735785 (E_RNA)
where:
Base-Base interactions energy: -88.808
where: short stacking energy: -52.782
Base-Backbone interact. energy: -0.124
local terms energy: -67.804448
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -186.020142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.020142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.020142 (E_RNA)
where:
Base-Base interactions energy: -117.569
where: short stacking energy: -53.008
Base-Backbone interact. energy: -0.133
local terms energy: -68.317728
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -16.697
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: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -98.069375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.069375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.069375 (E_RNA)
where:
Base-Base interactions energy: -39.621
where: short stacking energy: -39.621
Base-Backbone interact. energy: -0.518
local terms energy: -57.929835
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.834
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: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -90.645546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.645546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.645546 (E_RNA)
where:
Base-Base interactions energy: -35.672
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.602
local terms energy: -54.372227
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -81.067348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.067348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.067348 (E_RNA)
where:
Base-Base interactions energy: -35.258
where: short stacking energy: -28.237
Base-Backbone interact. energy: 0.962
local terms energy: -46.770714
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -85.275498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.275498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.275498 (E_RNA)
where:
Base-Base interactions energy: -33.993
where: short stacking energy: -29.837
Base-Backbone interact. energy: 0.242
local terms energy: -51.524464
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -7.710
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -228.789554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.789554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.789554 (E_RNA)
where:
Base-Base interactions energy: -154.372
where: short stacking energy: -63.459
Base-Backbone interact. energy: -0.502
local terms energy: -73.915407
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -226.895287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.895287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.895287 (E_RNA)
where:
Base-Base interactions energy: -144.822
where: short stacking energy: -69.779
Base-Backbone interact. energy: -0.005
local terms energy: -82.068331
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -11.382
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: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -186.519914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.519914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.519914 (E_RNA)
where:
Base-Base interactions energy: -128.588
where: short stacking energy: -55.514
Base-Backbone interact. energy: -0.186
local terms energy: -57.745298
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -8.195
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -12.638
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: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -191.907227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.907227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.907227 (E_RNA)
where:
Base-Base interactions energy: -124.833
where: short stacking energy: -64.615
Base-Backbone interact. energy: -1.085
local terms energy: -65.989358
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -16.836
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: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -146.536867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.536867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.536867 (E_RNA)
where:
Base-Base interactions energy: -86.156
where: short stacking energy: -40.563
Base-Backbone interact. energy: 4.942
local terms energy: -65.322648
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -179.681810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.681810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.681810 (E_RNA)
where:
Base-Base interactions energy: -128.443
where: short stacking energy: -61.188
Base-Backbone interact. energy: 0.580
local terms energy: -51.818709
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -7.609
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -100.962477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.962477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.962477 (E_RNA)
where:
Base-Base interactions energy: -46.183
where: short stacking energy: -30.151
Base-Backbone interact. energy: -1.205
local terms energy: -53.574418
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -87.542113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.542113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.542113 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -32.929
Base-Backbone interact. energy: -0.603
local terms energy: -49.756967
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -6.711
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: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -75.849422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.849422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.849422 (E_RNA)
where:
Base-Base interactions energy: -34.062
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.021
local terms energy: -41.766943
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: 0.287
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: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -86.831545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.831545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.831545 (E_RNA)
where:
Base-Base interactions energy: -31.358
where: short stacking energy: -23.788
Base-Backbone interact. energy: -0.254
local terms energy: -55.219443
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -231.930193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.930193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.930193 (E_RNA)
where:
Base-Base interactions energy: -155.652
where: short stacking energy: -78.553
Base-Backbone interact. energy: -0.611
local terms energy: -75.666716
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -19.759
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: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -215.562256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.562256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.562256 (E_RNA)
where:
Base-Base interactions energy: -142.594
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.647
local terms energy: -72.321536
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -11.775
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: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -199.145158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.145158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.145158 (E_RNA)
where:
Base-Base interactions energy: -130.293
where: short stacking energy: -66.889
Base-Backbone interact. energy: -0.121
local terms energy: -68.731023
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -222.219411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.219411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.219411 (E_RNA)
where:
Base-Base interactions energy: -148.809
where: short stacking energy: -72.406
Base-Backbone interact. energy: -1.054
local terms energy: -72.355993
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.257
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: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -203.894927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.894927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.894927 (E_RNA)
where:
Base-Base interactions energy: -143.873
where: short stacking energy: -59.614
Base-Backbone interact. energy: -0.080
local terms energy: -59.941331
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -136.458159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.458159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.458159 (E_RNA)
where:
Base-Base interactions energy: -78.999
where: short stacking energy: -31.983
Base-Backbone interact. energy: -0.077
local terms energy: -57.381706
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -7.418
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -96.725491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.725491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.725491 (E_RNA)
where:
Base-Base interactions energy: -42.687
where: short stacking energy: -37.984
Base-Backbone interact. energy: 0.171
local terms energy: -54.209228
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -8.057
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: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -105.118579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.118579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.118579 (E_RNA)
where:
Base-Base interactions energy: -60.350
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.086
local terms energy: -44.682866
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -95.366355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.366355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.366355 (E_RNA)
where:
Base-Base interactions energy: -43.497
where: short stacking energy: -25.732
Base-Backbone interact. energy: -0.173
local terms energy: -51.695883
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: 0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -74.431083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.431083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.431083 (E_RNA)
where:
Base-Base interactions energy: -28.259
where: short stacking energy: -28.259
Base-Backbone interact. energy: -0.153
local terms energy: -46.019737
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -10.258
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: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -232.668460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.668460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.668460 (E_RNA)
where:
Base-Base interactions energy: -157.145
where: short stacking energy: -76.717
Base-Backbone interact. energy: -0.004
local terms energy: -75.518855
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -14.699
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: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -195.683305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.683305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.683305 (E_RNA)
where:
Base-Base interactions energy: -121.386
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.052
local terms energy: -74.245204
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -209.236597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.236597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.236597 (E_RNA)
where:
Base-Base interactions energy: -141.316
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.491
local terms energy: -67.429521
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -12.904
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: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -217.265006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.265006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.265006 (E_RNA)
where:
Base-Base interactions energy: -160.927
where: short stacking energy: -56.537
Base-Backbone interact. energy: -0.255
local terms energy: -56.082842
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: 2.483
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -223.523943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.523943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.523943 (E_RNA)
where:
Base-Base interactions energy: -146.020
where: short stacking energy: -73.674
Base-Backbone interact. energy: -0.004
local terms energy: -77.499389
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -140.203173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.203173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.203173 (E_RNA)
where:
Base-Base interactions energy: -90.430
where: short stacking energy: -39.871
Base-Backbone interact. energy: 0.866
local terms energy: -50.638944
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -7.114
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: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -111.201628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.201628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.201628 (E_RNA)
where:
Base-Base interactions energy: -60.357
where: short stacking energy: -31.744
Base-Backbone interact. energy: -0.471
local terms energy: -50.373579
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -8.321
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -95.241234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.241234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.241234 (E_RNA)
where:
Base-Base interactions energy: -35.554
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.097
local terms energy: -59.591080
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -7.821
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: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -80.573029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.573029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.573029 (E_RNA)
where:
Base-Base interactions energy: -24.556
where: short stacking energy: -24.556
Base-Backbone interact. energy: -0.272
local terms energy: -55.744591
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -77.344325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.344325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.344325 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -26.025
Base-Backbone interact. energy: -0.197
local terms energy: -41.492175
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -237.199711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.199711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.199711 (E_RNA)
where:
Base-Base interactions energy: -157.375
where: short stacking energy: -71.981
Base-Backbone interact. energy: -0.078
local terms energy: -79.747660
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -13.455
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: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -201.993008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.993008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.993008 (E_RNA)
where:
Base-Base interactions energy: -125.927
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.144
local terms energy: -75.921349
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -8.945
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: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -204.988096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.988096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.988096 (E_RNA)
where:
Base-Base interactions energy: -141.756
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.250
local terms energy: -62.982611
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -13.618
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: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -192.843484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.843484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.843484 (E_RNA)
where:
Base-Base interactions energy: -132.499
where: short stacking energy: -51.632
Base-Backbone interact. energy: -0.453
local terms energy: -59.891506
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -202.675274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.675274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.675274 (E_RNA)
where:
Base-Base interactions energy: -138.969
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.310
local terms energy: -63.396206
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -18.100
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: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -153.095012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.095012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.095012 (E_RNA)
where:
Base-Base interactions energy: -100.101
where: short stacking energy: -50.673
Base-Backbone interact. energy: -0.046
local terms energy: -52.947785
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -98.406627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.406627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.406627 (E_RNA)
where:
Base-Base interactions energy: -41.209
where: short stacking energy: -36.600
Base-Backbone interact. energy: 0.784
local terms energy: -57.981924
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -9.003
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: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -98.163715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.163715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.163715 (E_RNA)
where:
Base-Base interactions energy: -47.062
where: short stacking energy: -20.092
Base-Backbone interact. energy: -0.400
local terms energy: -50.702035
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -0.702
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: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -105.132200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.132200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.132200 (E_RNA)
where:
Base-Base interactions energy: -57.910
where: short stacking energy: -34.232
Base-Backbone interact. energy: -0.057
local terms energy: -47.165905
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -88.046685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.046685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.046685 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -35.465
Base-Backbone interact. energy: -0.382
local terms energy: -48.794229
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -230.719833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.719833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.719833 (E_RNA)
where:
Base-Base interactions energy: -154.949
where: short stacking energy: -80.492
Base-Backbone interact. energy: -0.280
local terms energy: -75.491604
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -17.483
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: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -225.258358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.258358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.258358 (E_RNA)
where:
Base-Base interactions energy: -152.385
where: short stacking energy: -70.805
Base-Backbone interact. energy: -0.551
local terms energy: -72.322293
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -191.314837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.314837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.314837 (E_RNA)
where:
Base-Base interactions energy: -122.666
where: short stacking energy: -65.705
Base-Backbone interact. energy: -0.283
local terms energy: -68.365930
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -7.330
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: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -215.814181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.814181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.814181 (E_RNA)
where:
Base-Base interactions energy: -149.492
where: short stacking energy: -69.414
Base-Backbone interact. energy: -0.256
local terms energy: -66.065570
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -7.474
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: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -203.193453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.193453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.193453 (E_RNA)
where:
Base-Base interactions energy: -131.305
where: short stacking energy: -54.468
Base-Backbone interact. energy: -0.168
local terms energy: -71.720518
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -156.142010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.142010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.142010 (E_RNA)
where:
Base-Base interactions energy: -96.456
where: short stacking energy: -53.536
Base-Backbone interact. energy: -0.441
local terms energy: -59.244454
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -4.978
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: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -95.532287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.532287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.532287 (E_RNA)
where:
Base-Base interactions energy: -44.096
where: short stacking energy: -37.190
Base-Backbone interact. energy: -0.020
local terms energy: -51.416618
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -7.331
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: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -98.208062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.208062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.208062 (E_RNA)
where:
Base-Base interactions energy: -52.637
where: short stacking energy: -30.667
Base-Backbone interact. energy: 1.061
local terms energy: -46.632346
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -84.098745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.098745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.098745 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -35.490
Base-Backbone interact. energy: -0.351
local terms energy: -48.257850
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: 1.147
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: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -83.849420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.849420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.849420 (E_RNA)
where:
Base-Base interactions energy: -31.784
where: short stacking energy: -21.862
Base-Backbone interact. energy: 0.078
local terms energy: -52.142905
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -221.635764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.635764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.635764 (E_RNA)
where:
Base-Base interactions energy: -147.064
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.211
local terms energy: -74.360609
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -19.960
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: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -227.878717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.878717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.878717 (E_RNA)
where:
Base-Base interactions energy: -143.679
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.001
local terms energy: -84.198031
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -195.713452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.713452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.713452 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.013
local terms energy: -69.845199
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -11.350
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: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -209.390623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.390623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.390623 (E_RNA)
where:
Base-Base interactions energy: -139.822
where: short stacking energy: -68.400
Base-Backbone interact. energy: -0.041
local terms energy: -69.527504
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -184.552168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.552168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.552168 (E_RNA)
where:
Base-Base interactions energy: -118.924
where: short stacking energy: -51.950
Base-Backbone interact. energy: 0.803
local terms energy: -66.431097
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.369
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: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -143.273671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.273671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.273671 (E_RNA)
where:
Base-Base interactions energy: -88.603
where: short stacking energy: -47.085
Base-Backbone interact. energy: -0.286
local terms energy: -54.384619
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -4.488
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: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -106.147452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.147452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.147452 (E_RNA)
where:
Base-Base interactions energy: -55.638
where: short stacking energy: -33.596
Base-Backbone interact. energy: 0.793
local terms energy: -51.302588
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -2.927
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -77.021825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.021825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.021825 (E_RNA)
where:
Base-Base interactions energy: -34.168
where: short stacking energy: -33.107
Base-Backbone interact. energy: 0.526
local terms energy: -43.380111
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -79.661530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.661530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.661530 (E_RNA)
where:
Base-Base interactions energy: -36.977
where: short stacking energy: -22.712
Base-Backbone interact. energy: -0.287
local terms energy: -42.397330
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -74.510021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.510021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.510021 (E_RNA)
where:
Base-Base interactions energy: -23.987
where: short stacking energy: -23.207
Base-Backbone interact. energy: -0.025
local terms energy: -50.498161
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -224.773768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.773768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.773768 (E_RNA)
where:
Base-Base interactions energy: -149.085
where: short stacking energy: -59.381
Base-Backbone interact. energy: 1.100
local terms energy: -76.788730
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -201.137121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.137121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.137121 (E_RNA)
where:
Base-Base interactions energy: -130.777
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.012
local terms energy: -70.347754
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -10.898
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: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -225.725711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.725711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.725711 (E_RNA)
where:
Base-Base interactions energy: -151.106
where: short stacking energy: -72.985
Base-Backbone interact. energy: -0.022
local terms energy: -74.597591
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -186.297380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.297380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.297380 (E_RNA)
where:
Base-Base interactions energy: -122.808
where: short stacking energy: -52.767
Base-Backbone interact. energy: -0.205
local terms energy: -63.284632
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -208.095934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.095934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.095934 (E_RNA)
where:
Base-Base interactions energy: -138.439
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.018
local terms energy: -69.638720
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -17.507
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: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -170.481099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.481099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.481099 (E_RNA)
where:
Base-Base interactions energy: -111.504
where: short stacking energy: -53.463
Base-Backbone interact. energy: -0.350
local terms energy: -58.626895
where:
bonds (distance) C4'-P energy: -6.406
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -10.974
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: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -134.041260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.041260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.041260 (E_RNA)
where:
Base-Base interactions energy: -79.474
where: short stacking energy: -37.858
Base-Backbone interact. energy: 0.065
local terms energy: -54.632280
where:
bonds (distance) C4'-P energy: -7.040
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -5.882
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: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -86.806297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.806297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.806297 (E_RNA)
where:
Base-Base interactions energy: -38.165
where: short stacking energy: -31.182
Base-Backbone interact. energy: 0.363
local terms energy: -49.004114
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -88.269999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.269999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.269999 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -27.383
Base-Backbone interact. energy: 0.275
local terms energy: -50.470711
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: 0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -76.536710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.536710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.536710 (E_RNA)
where:
Base-Base interactions energy: -28.925
where: short stacking energy: -28.925
Base-Backbone interact. energy: 0.631
local terms energy: -48.243203
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -224.894896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.894896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.894896 (E_RNA)
where:
Base-Base interactions energy: -148.711
where: short stacking energy: -69.046
Base-Backbone interact. energy: -0.669
local terms energy: -75.515542
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -12.342
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: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -217.168350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.168350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.168350 (E_RNA)
where:
Base-Base interactions energy: -153.290
where: short stacking energy: -59.949
Base-Backbone interact. energy: -0.324
local terms energy: -63.554185
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -219.926752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.926752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.926752 (E_RNA)
where:
Base-Base interactions energy: -144.622
where: short stacking energy: -61.836
Base-Backbone interact. energy: -0.788
local terms energy: -74.516772
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -18.147
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: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -181.661070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.661070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.661070 (E_RNA)
where:
Base-Base interactions energy: -123.565
where: short stacking energy: -58.832
Base-Backbone interact. energy: 0.127
local terms energy: -58.222987
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -2.243
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -209.749556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.749556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.749556 (E_RNA)
where:
Base-Base interactions energy: -136.951
where: short stacking energy: -64.606
Base-Backbone interact. energy: -0.251
local terms energy: -72.547148
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -18.482
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: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -179.980543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.980543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.980543 (E_RNA)
where:
Base-Base interactions energy: -118.848
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.124
local terms energy: -61.008322
where:
bonds (distance) C4'-P energy: -6.329
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.019
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: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -101.585967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.585967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.585967 (E_RNA)
where:
Base-Base interactions energy: -46.139
where: short stacking energy: -46.079
Base-Backbone interact. energy: -0.102
local terms energy: -55.345030
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -89.203473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.203473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.203473 (E_RNA)
where:
Base-Base interactions energy: -56.533
where: short stacking energy: -24.626
Base-Backbone interact. energy: -0.318
local terms energy: -32.352523
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -0.350
tors. eta vs tors. theta energy: 2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -93.588793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.588793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.588793 (E_RNA)
where:
Base-Base interactions energy: -40.972
where: short stacking energy: -40.972
Base-Backbone interact. energy: -0.052
local terms energy: -52.564899
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -86.926824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.926824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.926824 (E_RNA)
where:
Base-Base interactions energy: -35.392
where: short stacking energy: -27.623
Base-Backbone interact. energy: -0.021
local terms energy: -51.513853
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -221.044145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.044145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.044145 (E_RNA)
where:
Base-Base interactions energy: -149.519
where: short stacking energy: -64.180
Base-Backbone interact. energy: 0.685
local terms energy: -72.210182
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -11.462
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: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -228.881418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.881418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.881418 (E_RNA)
where:
Base-Base interactions energy: -151.717
where: short stacking energy: -72.538
Base-Backbone interact. energy: -0.413
local terms energy: -76.751916
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -11.353
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: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -205.277695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.277695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.277695 (E_RNA)
where:
Base-Base interactions energy: -140.429
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.389
local terms energy: -64.460669
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -218.751272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.751272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.751272 (E_RNA)
where:
Base-Base interactions energy: -142.230
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.280
local terms energy: -76.241373
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -11.346
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: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -188.565383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.565383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.565383 (E_RNA)
where:
Base-Base interactions energy: -125.323
where: short stacking energy: -56.812
Base-Backbone interact. energy: -0.673
local terms energy: -62.569411
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -181.400013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.400013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.400013 (E_RNA)
where:
Base-Base interactions energy: -111.749
where: short stacking energy: -62.311
Base-Backbone interact. energy: -0.007
local terms energy: -69.643500
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.727
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: 7, replica: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -97.729786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.729786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.729786 (E_RNA)
where:
Base-Base interactions energy: -43.576
where: short stacking energy: -36.402
Base-Backbone interact. energy: -0.234
local terms energy: -53.918820
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -84.907797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.907797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.907797 (E_RNA)
where:
Base-Base interactions energy: -38.357
where: short stacking energy: -25.622
Base-Backbone interact. energy: -0.245
local terms energy: -46.305564
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -83.529536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.529536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.529536 (E_RNA)
where:
Base-Base interactions energy: -30.563
where: short stacking energy: -30.563
Base-Backbone interact. energy: -0.097
local terms energy: -52.869588
where:
bonds (distance) C4'-P energy: -7.905
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -6.632
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: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -72.999764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.999764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.999764 (E_RNA)
where:
Base-Base interactions energy: -25.792
where: short stacking energy: -23.117
Base-Backbone interact. energy: -0.227
local terms energy: -46.981190
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -2.338
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: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -221.281920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.281920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.281920 (E_RNA)
where:
Base-Base interactions energy: -138.168
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.004
local terms energy: -83.109331
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -10.858
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: 336
Temperature: 0.950000
Total energy: -212.502668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.502668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.502668 (E_RNA)
where:
Base-Base interactions energy: -144.608
where: short stacking energy: -60.932
Base-Backbone interact. energy: -0.234
local terms energy: -67.660576
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -223.407148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.407148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.407148 (E_RNA)
where:
Base-Base interactions energy: -148.350
where: short stacking energy: -68.856
Base-Backbone interact. energy: -0.000
local terms energy: -75.057232
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -189.568959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.568959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.568959 (E_RNA)
where:
Base-Base interactions energy: -122.424
where: short stacking energy: -46.898
Base-Backbone interact. energy: 1.841
local terms energy: -68.986267
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -198.389937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.389937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.389937 (E_RNA)
where:
Base-Base interactions energy: -127.666
where: short stacking energy: -48.697
Base-Backbone interact. energy: 0.227
local terms energy: -70.951331
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -10.419
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: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -163.074310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.074310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.074310 (E_RNA)
where:
Base-Base interactions energy: -105.236
where: short stacking energy: -45.447
Base-Backbone interact. energy: -0.130
local terms energy: -57.708270
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -7.223
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: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -98.066580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.066580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.066580 (E_RNA)
where:
Base-Base interactions energy: -42.190
where: short stacking energy: -42.190
Base-Backbone interact. energy: -0.011
local terms energy: -55.866335
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -8.444
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: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -84.486082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.486082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.486082 (E_RNA)
where:
Base-Base interactions energy: -43.071
where: short stacking energy: -27.642
Base-Backbone interact. energy: 1.282
local terms energy: -42.696855
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -83.648925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.648925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.648925 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -28.048
Base-Backbone interact. energy: -0.142
local terms energy: -49.651400
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: 0.146
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: 336
Temperature: 1.350000
Total energy: -88.149909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.149909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.149909 (E_RNA)
where:
Base-Base interactions energy: -38.642
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.367
local terms energy: -49.140198
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -8.751
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -229.126740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.126740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.126740 (E_RNA)
where:
Base-Base interactions energy: -153.732
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.021
local terms energy: -75.373714
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -22.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -230.275720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.275720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.275720 (E_RNA)
where:
Base-Base interactions energy: -148.783
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.003
local terms energy: -81.490099
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -208.136542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.136542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.136542 (E_RNA)
where:
Base-Base interactions energy: -135.384
where: short stacking energy: -64.996
Base-Backbone interact. energy: -0.888
local terms energy: -71.864402
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -188.634068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.634068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.634068 (E_RNA)
where:
Base-Base interactions energy: -122.046
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.151
local terms energy: -66.436873
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -184.053173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.053173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.053173 (E_RNA)
where:
Base-Base interactions energy: -120.102
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.068
local terms energy: -63.883912
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -11.054
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: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -181.346943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.346943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.346943 (E_RNA)
where:
Base-Base interactions energy: -118.278
where: short stacking energy: -45.957
Base-Backbone interact. energy: -0.317
local terms energy: -62.751970
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -12.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -108.186345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.186345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.186345 (E_RNA)
where:
Base-Base interactions energy: -52.964
where: short stacking energy: -48.238
Base-Backbone interact. energy: -0.095
local terms energy: -55.127341
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -102.962728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.962728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.962728 (E_RNA)
where:
Base-Base interactions energy: -53.562
where: short stacking energy: -29.878
Base-Backbone interact. energy: 0.027
local terms energy: -49.426907
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -3.017
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: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -85.778531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.778531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.778531 (E_RNA)
where:
Base-Base interactions energy: -31.348
where: short stacking energy: -19.311
Base-Backbone interact. energy: -0.121
local terms energy: -54.309760
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -82.052321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.052321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.052321 (E_RNA)
where:
Base-Base interactions energy: -33.154
where: short stacking energy: -29.722
Base-Backbone interact. energy: -0.814
local terms energy: -48.084334
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: 1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -229.260034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.260034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.260034 (E_RNA)
where:
Base-Base interactions energy: -154.292
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.002
local terms energy: -74.966723
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -226.300378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.300378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.300378 (E_RNA)
where:
Base-Base interactions energy: -152.461
where: short stacking energy: -74.210
Base-Backbone interact. energy: -0.469
local terms energy: -73.370808
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -11.683
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: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -196.755293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.755293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.755293 (E_RNA)
where:
Base-Base interactions energy: -124.279
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.142
local terms energy: -72.333514
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -12.841
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: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -203.313608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.313608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.313608 (E_RNA)
where:
Base-Base interactions energy: -137.405
where: short stacking energy: -67.886
Base-Backbone interact. energy: 0.296
local terms energy: -66.204613
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -187.955958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.955958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.955958 (E_RNA)
where:
Base-Base interactions energy: -116.392
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.096
local terms energy: -71.468452
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -174.504839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.504839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.504839 (E_RNA)
where:
Base-Base interactions energy: -107.834
where: short stacking energy: -43.528
Base-Backbone interact. energy: -0.513
local terms energy: -66.157924
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -133.138855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.138855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.138855 (E_RNA)
where:
Base-Base interactions energy: -70.596
where: short stacking energy: -43.701
Base-Backbone interact. energy: -0.041
local terms energy: -62.502290
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -7.761
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: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -82.354576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.354576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.354576 (E_RNA)
where:
Base-Base interactions energy: -31.441
where: short stacking energy: -28.908
Base-Backbone interact. energy: -0.270
local terms energy: -50.643429
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -96.344788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.344788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.344788 (E_RNA)
where:
Base-Base interactions energy: -30.286
where: short stacking energy: -27.591
Base-Backbone interact. energy: -0.113
local terms energy: -65.945107
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -6.885
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: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -88.134788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.134788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.134788 (E_RNA)
where:
Base-Base interactions energy: -28.339
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.473
local terms energy: -59.323239
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -225.296868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.296868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.296868 (E_RNA)
where:
Base-Base interactions energy: -148.867
where: short stacking energy: -71.430
Base-Backbone interact. energy: -0.613
local terms energy: -75.817054
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -21.920
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: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -225.497847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.497847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.497847 (E_RNA)
where:
Base-Base interactions energy: -148.260
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.003
local terms energy: -77.235023
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.145
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: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -193.649263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.649263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.649263 (E_RNA)
where:
Base-Base interactions energy: -129.779
where: short stacking energy: -69.900
Base-Backbone interact. energy: -0.003
local terms energy: -63.866705
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -9.292
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: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -213.483461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.483461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.483461 (E_RNA)
where:
Base-Base interactions energy: -147.147
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.154
local terms energy: -66.182425
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -13.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -186.371492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.371492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.371492 (E_RNA)
where:
Base-Base interactions energy: -126.669
where: short stacking energy: -59.758
Base-Backbone interact. energy: -0.010
local terms energy: -59.692435
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -10.244
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -15.477
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: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -174.069415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.069415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.069415 (E_RNA)
where:
Base-Base interactions energy: -117.626
where: short stacking energy: -47.091
Base-Backbone interact. energy: -0.248
local terms energy: -56.195599
where:
bonds (distance) C4'-P energy: -7.636
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -10.344
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: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -118.260423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.260423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.260423 (E_RNA)
where:
Base-Base interactions energy: -63.435
where: short stacking energy: -31.240
Base-Backbone interact. energy: -0.023
local terms energy: -54.802043
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -83.672686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.672686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.672686 (E_RNA)
where:
Base-Base interactions energy: -38.366
where: short stacking energy: -28.803
Base-Backbone interact. energy: 0.648
local terms energy: -45.955005
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -80.895515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.895515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.895515 (E_RNA)
where:
Base-Base interactions energy: -38.192
where: short stacking energy: -38.192
Base-Backbone interact. energy: -0.611
local terms energy: -42.092666
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -81.293089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.293089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.293089 (E_RNA)
where:
Base-Base interactions energy: -25.804
where: short stacking energy: -27.204
Base-Backbone interact. energy: -0.203
local terms energy: -55.285709
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -0.048
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: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -229.383382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.383382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.383382 (E_RNA)
where:
Base-Base interactions energy: -148.939
where: short stacking energy: -72.126
Base-Backbone interact. energy: -0.015
local terms energy: -80.429035
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -11.472
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: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -222.979319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.979319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.979319 (E_RNA)
where:
Base-Base interactions energy: -146.571
where: short stacking energy: -71.311
Base-Backbone interact. energy: -0.004
local terms energy: -76.404084
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -14.762
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: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -178.679029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.679029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.679029 (E_RNA)
where:
Base-Base interactions energy: -123.740
where: short stacking energy: -42.178
Base-Backbone interact. energy: -0.098
local terms energy: -54.840111
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -186.433372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.433372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.433372 (E_RNA)
where:
Base-Base interactions energy: -130.070
where: short stacking energy: -51.930
Base-Backbone interact. energy: 0.318
local terms energy: -56.681312
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -11.048
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: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -179.595102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.595102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.595102 (E_RNA)
where:
Base-Base interactions energy: -110.942
where: short stacking energy: -54.192
Base-Backbone interact. energy: -0.063
local terms energy: -68.589885
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -186.305310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.305310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.305310 (E_RNA)
where:
Base-Base interactions energy: -117.642
where: short stacking energy: -44.005
Base-Backbone interact. energy: -0.885
local terms energy: -67.778563
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -90.683701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683701 (E_RNA)
where:
Base-Base interactions energy: -39.238
where: short stacking energy: -33.777
Base-Backbone interact. energy: -0.644
local terms energy: -50.801985
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -96.798273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.798273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.798273 (E_RNA)
where:
Base-Base interactions energy: -49.045
where: short stacking energy: -34.542
Base-Backbone interact. energy: -0.014
local terms energy: -47.739854
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -6.714
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -84.695896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.695896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.695896 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -35.353
Base-Backbone interact. energy: 1.587
local terms energy: -50.930396
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -86.400550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.400550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.400550 (E_RNA)
where:
Base-Base interactions energy: -33.437
where: short stacking energy: -31.261
Base-Backbone interact. energy: 0.647
local terms energy: -53.610514
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -229.684582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.684582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.684582 (E_RNA)
where:
Base-Base interactions energy: -147.737
where: short stacking energy: -75.023
Base-Backbone interact. energy: -0.000
local terms energy: -81.947581
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -23.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -234.686758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.686758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.686758 (E_RNA)
where:
Base-Base interactions energy: -152.319
where: short stacking energy: -73.408
Base-Backbone interact. energy: -0.705
local terms energy: -81.662844
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -7.839
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: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -195.383517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.383517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.383517 (E_RNA)
where:
Base-Base interactions energy: -119.695
where: short stacking energy: -58.018
Base-Backbone interact. energy: -0.308
local terms energy: -75.380032
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -182.497006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.497006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.497006 (E_RNA)
where:
Base-Base interactions energy: -116.799
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.081
local terms energy: -65.616581
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -197.967916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.967916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.967916 (E_RNA)
where:
Base-Base interactions energy: -122.114
where: short stacking energy: -60.903
Base-Backbone interact. energy: -0.007
local terms energy: -75.846444
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -18.350
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: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -177.301161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.301161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.301161 (E_RNA)
where:
Base-Base interactions energy: -115.241
where: short stacking energy: -52.580
Base-Backbone interact. energy: -0.424
local terms energy: -61.635724
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -98.156115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.156115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.156115 (E_RNA)
where:
Base-Base interactions energy: -50.257
where: short stacking energy: -38.292
Base-Backbone interact. energy: 0.226
local terms energy: -48.124642
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -89.293279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.293279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.293279 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -31.552
Base-Backbone interact. energy: 0.646
local terms energy: -50.256580
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -70.184570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.184570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.184570 (E_RNA)
where:
Base-Base interactions energy: -26.903
where: short stacking energy: -17.718
Base-Backbone interact. energy: 0.553
local terms energy: -43.834276
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: 3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -76.365272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.365272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.365272 (E_RNA)
where:
Base-Base interactions energy: -36.695
where: short stacking energy: -36.695
Base-Backbone interact. energy: -0.099
local terms energy: -39.571401
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: 6.141
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -233.759032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.759032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.759032 (E_RNA)
where:
Base-Base interactions energy: -160.989
where: short stacking energy: -80.723
Base-Backbone interact. energy: 0.467
local terms energy: -73.237335
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -224.675160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.675160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.675160 (E_RNA)
where:
Base-Base interactions energy: -145.364
where: short stacking energy: -75.009
Base-Backbone interact. energy: -0.019
local terms energy: -79.292650
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -196.748521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.748521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.748521 (E_RNA)
where:
Base-Base interactions energy: -129.251
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.004
local terms energy: -67.493693
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -187.225848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.225848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.225848 (E_RNA)
where:
Base-Base interactions energy: -132.056
where: short stacking energy: -54.451
Base-Backbone interact. energy: -0.634
local terms energy: -54.535177
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -185.766861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.766861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.766861 (E_RNA)
where:
Base-Base interactions energy: -115.163
where: short stacking energy: -52.083
Base-Backbone interact. energy: -0.399
local terms energy: -70.205047
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -172.686025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.686025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.686025 (E_RNA)
where:
Base-Base interactions energy: -115.220
where: short stacking energy: -55.907
Base-Backbone interact. energy: 0.066
local terms energy: -57.532050
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -92.076953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.076953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.076953 (E_RNA)
where:
Base-Base interactions energy: -43.318
where: short stacking energy: -41.383
Base-Backbone interact. energy: -0.104
local terms energy: -48.655319
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -92.402843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.402843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.402843 (E_RNA)
where:
Base-Base interactions energy: -56.922
where: short stacking energy: -23.051
Base-Backbone interact. energy: -1.689
local terms energy: -33.791271
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -3.128
tors. eta vs tors. theta energy: 0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -120.502201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.502201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.502201 (E_RNA)
where:
Base-Base interactions energy: -73.324
where: short stacking energy: -37.917
Base-Backbone interact. energy: -0.084
local terms energy: -47.094073
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -0.753
tors. eta vs tors. theta energy: -7.223
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: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -74.916333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.916333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.916333 (E_RNA)
where:
Base-Base interactions energy: -23.101
where: short stacking energy: -20.774
Base-Backbone interact. energy: -0.382
local terms energy: -51.433057
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -226.594213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.594213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.594213 (E_RNA)
where:
Base-Base interactions energy: -150.215
where: short stacking energy: -75.785
Base-Backbone interact. energy: -0.044
local terms energy: -76.335958
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -229.721359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.721359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.721359 (E_RNA)
where:
Base-Base interactions energy: -153.767
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.063
local terms energy: -75.891533
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -196.021622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.021622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.021622 (E_RNA)
where:
Base-Base interactions energy: -125.621
where: short stacking energy: -60.174
Base-Backbone interact. energy: -0.004
local terms energy: -70.397105
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -190.938813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.938813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.938813 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.075
local terms energy: -59.355642
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -191.173616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.173616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.173616 (E_RNA)
where:
Base-Base interactions energy: -127.575
where: short stacking energy: -46.870
Base-Backbone interact. energy: -1.101
local terms energy: -62.497558
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -9.878
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: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -173.195006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.195006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.195006 (E_RNA)
where:
Base-Base interactions energy: -122.985
where: short stacking energy: -54.292
Base-Backbone interact. energy: 0.468
local terms energy: -50.678253
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -11.519
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: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -95.415442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.415442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.415442 (E_RNA)
where:
Base-Base interactions energy: -40.805
where: short stacking energy: -32.924
Base-Backbone interact. energy: 0.176
local terms energy: -54.786835
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -103.633835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.633835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.633835 (E_RNA)
where:
Base-Base interactions energy: -51.160
where: short stacking energy: -25.299
Base-Backbone interact. energy: -0.082
local terms energy: -52.392558
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -91.909232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.909232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.909232 (E_RNA)
where:
Base-Base interactions energy: -48.362
where: short stacking energy: -33.175
Base-Backbone interact. energy: -0.228
local terms energy: -43.319520
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -86.431014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.431014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.431014 (E_RNA)
where:
Base-Base interactions energy: -32.785
where: short stacking energy: -32.333
Base-Backbone interact. energy: -0.093
local terms energy: -53.553694
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -230.277070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.277070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.277070 (E_RNA)
where:
Base-Base interactions energy: -155.641
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.046
local terms energy: -74.589870
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -12.380
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: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -231.709255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.709255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.709255 (E_RNA)
where:
Base-Base interactions energy: -152.651
where: short stacking energy: -76.563
Base-Backbone interact. energy: -0.001
local terms energy: -79.056532
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -10.587
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: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -199.219135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.219135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.219135 (E_RNA)
where:
Base-Base interactions energy: -122.729
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.020
local terms energy: -76.470634
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -193.642836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.642836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.642836 (E_RNA)
where:
Base-Base interactions energy: -120.701
where: short stacking energy: -54.155
Base-Backbone interact. energy: -0.760
local terms energy: -72.182406
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -8.245
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: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -178.037112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.037112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.037112 (E_RNA)
where:
Base-Base interactions energy: -122.778
where: short stacking energy: -61.256
Base-Backbone interact. energy: -0.015
local terms energy: -55.244354
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -6.443
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: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -189.257325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.257325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.257325 (E_RNA)
where:
Base-Base interactions energy: -121.933
where: short stacking energy: -46.378
Base-Backbone interact. energy: -0.314
local terms energy: -67.010477
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -12.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -96.557521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.557521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.557521 (E_RNA)
where:
Base-Base interactions energy: -42.927
where: short stacking energy: -38.164
Base-Backbone interact. energy: -0.126
local terms energy: -53.504426
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -99.236589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.236589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.236589 (E_RNA)
where:
Base-Base interactions energy: -43.580
where: short stacking energy: -39.702
Base-Backbone interact. energy: -0.449
local terms energy: -55.207584
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -5.264
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: 344
Temperature: 1.300000
Total energy: -75.269458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.269458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.269458 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -28.682
Base-Backbone interact. energy: -0.341
local terms energy: -44.273072
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -2.642
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -100.847916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.847916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.847916 (E_RNA)
where:
Base-Base interactions energy: -58.533
where: short stacking energy: -31.519
Base-Backbone interact. energy: 1.638
local terms energy: -43.952673
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -9.593
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: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -233.664148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.664148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.664148 (E_RNA)
where:
Base-Base interactions energy: -157.559
where: short stacking energy: -74.877
Base-Backbone interact. energy: -0.041
local terms energy: -76.064194
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -20.453
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: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -225.599244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.599244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.599244 (E_RNA)
where:
Base-Base interactions energy: -147.535
where: short stacking energy: -66.483
Base-Backbone interact. energy: -0.000
local terms energy: -78.063721
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -199.139757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.139757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.139757 (E_RNA)
where:
Base-Base interactions energy: -129.782
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.507
local terms energy: -68.850798
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -189.404906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.404906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.404906 (E_RNA)
where:
Base-Base interactions energy: -120.664
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.258
local terms energy: -68.482167
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -187.982177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.982177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.982177 (E_RNA)
where:
Base-Base interactions energy: -122.416
where: short stacking energy: -56.888
Base-Backbone interact. energy: -0.032
local terms energy: -65.533436
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -182.042896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.042896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.042896 (E_RNA)
where:
Base-Base interactions energy: -117.687
where: short stacking energy: -40.612
Base-Backbone interact. energy: -0.257
local terms energy: -64.098879
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -116.342458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.342458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.342458 (E_RNA)
where:
Base-Base interactions energy: -59.560
where: short stacking energy: -36.247
Base-Backbone interact. energy: 1.731
local terms energy: -58.513492
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -8.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -78.731500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.731500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.731500 (E_RNA)
where:
Base-Base interactions energy: -24.787
where: short stacking energy: -23.379
Base-Backbone interact. energy: -1.553
local terms energy: -52.391998
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -3.754
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -97.132437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.132437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.132437 (E_RNA)
where:
Base-Base interactions energy: -54.971
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.166
local terms energy: -41.995515
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -0.635
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -81.298671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.298671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.298671 (E_RNA)
where:
Base-Base interactions energy: -31.269
where: short stacking energy: -27.448
Base-Backbone interact. energy: -0.099
local terms energy: -49.930811
where:
bonds (distance) C4'-P energy: -8.606
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -224.722142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.722142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.722142 (E_RNA)
where:
Base-Base interactions energy: -141.307
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.032
local terms energy: -83.383013
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -13.209
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: 2, replica: 6
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -218.555526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.555526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.555526 (E_RNA)
where:
Base-Base interactions energy: -146.513
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.101
local terms energy: -71.941936
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -11.465
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: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -210.173293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.173293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.173293 (E_RNA)
where:
Base-Base interactions energy: -134.118
where: short stacking energy: -62.872
Base-Backbone interact. energy: -0.933
local terms energy: -75.122550
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -191.174395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.174395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.174395 (E_RNA)
where:
Base-Base interactions energy: -123.002
where: short stacking energy: -65.948
Base-Backbone interact. energy: -0.001
local terms energy: -68.171645
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -180.746685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.746685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.746685 (E_RNA)
where:
Base-Base interactions energy: -121.364
where: short stacking energy: -54.298
Base-Backbone interact. energy: -0.675
local terms energy: -58.708175
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -13.498
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: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -198.319352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.319352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.319352 (E_RNA)
where:
Base-Base interactions energy: -133.797
where: short stacking energy: -48.338
Base-Backbone interact. energy: -0.366
local terms energy: -64.156656
where:
bonds (distance) C4'-P energy: -7.553
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -103.301606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.301606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.301606 (E_RNA)
where:
Base-Base interactions energy: -50.496
where: short stacking energy: -28.876
Base-Backbone interact. energy: -0.010
local terms energy: -52.796356
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -86.205284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.205284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.205284 (E_RNA)
where:
Base-Base interactions energy: -33.097
where: short stacking energy: -22.938
Base-Backbone interact. energy: -0.043
local terms energy: -53.064800
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -90.808294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.808294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.808294 (E_RNA)
where:
Base-Base interactions energy: -48.378
where: short stacking energy: -25.185
Base-Backbone interact. energy: -0.334
local terms energy: -42.096650
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -1.589
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: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -88.458284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.458284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.458284 (E_RNA)
where:
Base-Base interactions energy: -49.799
where: short stacking energy: -23.554
Base-Backbone interact. energy: 0.339
local terms energy: -38.998779
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -8.135
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: 3.050
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: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -214.602221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.602221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.602221 (E_RNA)
where:
Base-Base interactions energy: -144.964
where: short stacking energy: -77.895
Base-Backbone interact. energy: -0.296
local terms energy: -69.341576
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.351
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: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -197.796210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.796210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.796210 (E_RNA)
where:
Base-Base interactions energy: -129.369
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.015
local terms energy: -68.411648
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -12.531
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: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -221.295360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.295360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.295360 (E_RNA)
where:
Base-Base interactions energy: -146.542
where: short stacking energy: -70.095
Base-Backbone interact. energy: -0.210
local terms energy: -74.542687
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -21.980
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: 347
Temperature: 1.050000
Total energy: -183.573026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.573026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.573026 (E_RNA)
where:
Base-Base interactions energy: -113.671
where: short stacking energy: -56.423
Base-Backbone interact. energy: -0.029
local terms energy: -69.872926
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -202.786258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.786258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.786258 (E_RNA)
where:
Base-Base interactions energy: -133.830
where: short stacking energy: -68.909
Base-Backbone interact. energy: -0.010
local terms energy: -68.946063
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -205.504994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.504994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.504994 (E_RNA)
where:
Base-Base interactions energy: -140.721
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.856
local terms energy: -63.927979
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -106.003322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.003322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.003322 (E_RNA)
where:
Base-Base interactions energy: -56.584
where: short stacking energy: -30.117
Base-Backbone interact. energy: 0.185
local terms energy: -49.604500
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -0.528
tors. eta vs tors. theta energy: -6.872
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: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -92.644623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.644623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.644623 (E_RNA)
where:
Base-Base interactions energy: -42.062
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.220
local terms energy: -50.362589
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -84.939098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.939098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.939098 (E_RNA)
where:
Base-Base interactions energy: -33.029
where: short stacking energy: -21.688
Base-Backbone interact. energy: -0.205
local terms energy: -51.705246
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: 0.536
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: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -90.580039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.580039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.580039 (E_RNA)
where:
Base-Base interactions energy: -44.787
where: short stacking energy: -34.208
Base-Backbone interact. energy: -0.332
local terms energy: -45.461019
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -6.789
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: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -220.909659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.909659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.909659 (E_RNA)
where:
Base-Base interactions energy: -140.277
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.001
local terms energy: -80.631736
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -19.883
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: 348
Temperature: 0.950000
Total energy: -206.548025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.548025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.548025 (E_RNA)
where:
Base-Base interactions energy: -135.273
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.446
local terms energy: -70.829176
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -223.429319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.429319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.429319 (E_RNA)
where:
Base-Base interactions energy: -147.889
where: short stacking energy: -69.959
Base-Backbone interact. energy: -0.063
local terms energy: -75.477722
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -11.721
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: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -186.183083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.183083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.183083 (E_RNA)
where:
Base-Base interactions energy: -120.436
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.023
local terms energy: -65.723765
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -200.666633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.666633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.666633 (E_RNA)
where:
Base-Base interactions energy: -133.161
where: short stacking energy: -54.891
Base-Backbone interact. energy: -0.470
local terms energy: -67.035234
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -177.364345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.364345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.364345 (E_RNA)
where:
Base-Base interactions energy: -114.811
where: short stacking energy: -53.719
Base-Backbone interact. energy: -0.420
local terms energy: -62.133441
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -113.952892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.952892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.952892 (E_RNA)
where:
Base-Base interactions energy: -51.739
where: short stacking energy: -26.859
Base-Backbone interact. energy: 0.646
local terms energy: -62.859715
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -89.464420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.464420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.464420 (E_RNA)
where:
Base-Base interactions energy: -43.312
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.016
local terms energy: -46.136756
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -97.319364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.319364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.319364 (E_RNA)
where:
Base-Base interactions energy: -51.781
where: short stacking energy: -33.382
Base-Backbone interact. energy: -0.357
local terms energy: -45.181082
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -75.402800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.402800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.402800 (E_RNA)
where:
Base-Base interactions energy: -24.907
where: short stacking energy: -17.162
Base-Backbone interact. energy: -0.143
local terms energy: -50.353300
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: 2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -221.178238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.178238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.178238 (E_RNA)
where:
Base-Base interactions energy: -146.467
where: short stacking energy: -62.563
Base-Backbone interact. energy: -0.692
local terms energy: -74.019397
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -219.994219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.994219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.994219 (E_RNA)
where:
Base-Base interactions energy: -145.343
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.001
local terms energy: -74.650024
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.499
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: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -205.678765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.678765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.678765 (E_RNA)
where:
Base-Base interactions energy: -136.953
where: short stacking energy: -71.117
Base-Backbone interact. energy: -0.002
local terms energy: -68.723176
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -18.471
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: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -212.321750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.321750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.321750 (E_RNA)
where:
Base-Base interactions energy: -152.572
where: short stacking energy: -53.582
Base-Backbone interact. energy: -0.876
local terms energy: -58.872969
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -180.910950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.910950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.910950 (E_RNA)
where:
Base-Base interactions energy: -120.068
where: short stacking energy: -55.187
Base-Backbone interact. energy: -0.132
local terms energy: -60.711117
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -3.967
tors. eta vs tors. theta energy: -16.976
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: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -174.314432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.314432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.314432 (E_RNA)
where:
Base-Base interactions energy: -113.916
where: short stacking energy: -53.049
Base-Backbone interact. energy: -0.100
local terms energy: -60.298542
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -9.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -112.348222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.348222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.348222 (E_RNA)
where:
Base-Base interactions energy: -57.963
where: short stacking energy: -43.563
Base-Backbone interact. energy: 0.346
local terms energy: -54.731321
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -10.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -91.184667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.184667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.184667 (E_RNA)
where:
Base-Base interactions energy: -48.519
where: short stacking energy: -34.358
Base-Backbone interact. energy: -0.590
local terms energy: -42.075594
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -90.350957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.350957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.350957 (E_RNA)
where:
Base-Base interactions energy: -34.368
where: short stacking energy: -27.012
Base-Backbone interact. energy: 0.354
local terms energy: -56.336695
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -82.970288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.970288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.970288 (E_RNA)
where:
Base-Base interactions energy: -35.017
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.603
local terms energy: -47.350560
where:
bonds (distance) C4'-P energy: -5.218
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -223.159687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.159687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.159687 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.051
local terms energy: -77.214145
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -222.213952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.213952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.213952 (E_RNA)
where:
Base-Base interactions energy: -141.780
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.001
local terms energy: -80.432962
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -215.282583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.282583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.282583 (E_RNA)
where:
Base-Base interactions energy: -143.973
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.287
local terms energy: -71.022344
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -200.978035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.978035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.978035 (E_RNA)
where:
Base-Base interactions energy: -128.804
where: short stacking energy: -70.322
Base-Backbone interact. energy: 0.234
local terms energy: -72.407799
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -187.712602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.712602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.712602 (E_RNA)
where:
Base-Base interactions energy: -121.421
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.009
local terms energy: -66.282252
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -9.329
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -177.236674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.236674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.236674 (E_RNA)
where:
Base-Base interactions energy: -114.233
where: short stacking energy: -36.739
Base-Backbone interact. energy: 1.834
local terms energy: -64.838337
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -7.644
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: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -95.915598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.915598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.915598 (E_RNA)
where:
Base-Base interactions energy: -44.501
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.189
local terms energy: -51.225349
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -8.093
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: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -98.806485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.806485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.806485 (E_RNA)
where:
Base-Base interactions energy: -44.972
where: short stacking energy: -33.503
Base-Backbone interact. energy: -0.077
local terms energy: -53.757676
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -4.969
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: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -88.782094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.782094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.782094 (E_RNA)
where:
Base-Base interactions energy: -42.631
where: short stacking energy: -38.392
Base-Backbone interact. energy: 1.048
local terms energy: -47.199097
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -83.247526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.247526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.247526 (E_RNA)
where:
Base-Base interactions energy: -43.494
where: short stacking energy: -33.593
Base-Backbone interact. energy: -0.008
local terms energy: -39.744821
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -7.698
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -233.798814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.798814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.798814 (E_RNA)
where:
Base-Base interactions energy: -148.451
where: short stacking energy: -65.546
Base-Backbone interact. energy: -0.489
local terms energy: -84.858841
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -22.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -215.857668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.857668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.857668 (E_RNA)
where:
Base-Base interactions energy: -141.681
where: short stacking energy: -64.152
Base-Backbone interact. energy: -0.379
local terms energy: -73.797352
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -15.898
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: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -227.888626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.888626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.888626 (E_RNA)
where:
Base-Base interactions energy: -154.487
where: short stacking energy: -77.374
Base-Backbone interact. energy: -0.002
local terms energy: -73.399791
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.498
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: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -200.235288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.235288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.235288 (E_RNA)
where:
Base-Base interactions energy: -138.792
where: short stacking energy: -61.180
Base-Backbone interact. energy: -0.205
local terms energy: -61.239009
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -191.066409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.066409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.066409 (E_RNA)
where:
Base-Base interactions energy: -127.652
where: short stacking energy: -63.080
Base-Backbone interact. energy: 0.539
local terms energy: -63.953251
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -184.347919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.347919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.347919 (E_RNA)
where:
Base-Base interactions energy: -123.174
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.822
local terms energy: -60.351684
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -14.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -105.859109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.859109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.859109 (E_RNA)
where:
Base-Base interactions energy: -47.024
where: short stacking energy: -33.079
Base-Backbone interact. energy: 1.981
local terms energy: -60.816619
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -106.702637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.702637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.702637 (E_RNA)
where:
Base-Base interactions energy: -45.575
where: short stacking energy: -28.724
Base-Backbone interact. energy: -0.406
local terms energy: -60.722144
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -10.174
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: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -85.599047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.599047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.599047 (E_RNA)
where:
Base-Base interactions energy: -44.738
where: short stacking energy: -31.356
Base-Backbone interact. energy: -0.573
local terms energy: -40.288121
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -75.636239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.636239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.636239 (E_RNA)
where:
Base-Base interactions energy: -35.884
where: short stacking energy: -9.901
Base-Backbone interact. energy: -0.413
local terms energy: -39.339304
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -0.741
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: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -220.074183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.074183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.074183 (E_RNA)
where:
Base-Base interactions energy: -150.204
where: short stacking energy: -62.082
Base-Backbone interact. energy: -0.515
local terms energy: -69.355020
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.741
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: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -232.778683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.778683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.778683 (E_RNA)
where:
Base-Base interactions energy: -151.026
where: short stacking energy: -74.501
Base-Backbone interact. energy: -0.016
local terms energy: -81.736892
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -221.475975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.475975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.475975 (E_RNA)
where:
Base-Base interactions energy: -145.549
where: short stacking energy: -75.795
Base-Backbone interact. energy: -0.042
local terms energy: -75.884552
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -21.103
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: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -194.852371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.852371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.852371 (E_RNA)
where:
Base-Base interactions energy: -129.883
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.020
local terms energy: -64.949303
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -9.042
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: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -190.263133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.263133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.263133 (E_RNA)
where:
Base-Base interactions energy: -118.710
where: short stacking energy: -58.606
Base-Backbone interact. energy: 0.360
local terms energy: -71.913781
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -177.210111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.210111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.210111 (E_RNA)
where:
Base-Base interactions energy: -119.466
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.156
local terms energy: -57.588085
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -124.125591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.125591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.125591 (E_RNA)
where:
Base-Base interactions energy: -64.343
where: short stacking energy: -38.654
Base-Backbone interact. energy: -0.315
local terms energy: -59.467921
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -87.113087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.113087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.113087 (E_RNA)
where:
Base-Base interactions energy: -29.554
where: short stacking energy: -19.186
Base-Backbone interact. energy: 0.423
local terms energy: -57.981873
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -84.886296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.886296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.886296 (E_RNA)
where:
Base-Base interactions energy: -41.349
where: short stacking energy: -24.497
Base-Backbone interact. energy: -0.092
local terms energy: -43.444851
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: 0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -77.845149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.845149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.845149 (E_RNA)
where:
Base-Base interactions energy: -41.027
where: short stacking energy: -20.385
Base-Backbone interact. energy: -0.354
local terms energy: -36.463907
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -0.528
tors. eta vs tors. theta energy: 1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -223.562623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.562623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.562623 (E_RNA)
where:
Base-Base interactions energy: -145.298
where: short stacking energy: -69.286
Base-Backbone interact. energy: -0.667
local terms energy: -77.598266
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -225.347160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.347160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.347160 (E_RNA)
where:
Base-Base interactions energy: -143.577
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.101
local terms energy: -81.669468
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -11.510
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: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -216.933799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.933799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.933799 (E_RNA)
where:
Base-Base interactions energy: -139.306
where: short stacking energy: -69.215
Base-Backbone interact. energy: -0.280
local terms energy: -77.347645
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -18.671
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: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -197.282160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.282160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.282160 (E_RNA)
where:
Base-Base interactions energy: -136.433
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.724
local terms energy: -60.125412
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -186.830237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.830237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.830237 (E_RNA)
where:
Base-Base interactions energy: -120.026
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.700
local terms energy: -66.104130
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -9.024
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: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -191.857307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.857307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.857307 (E_RNA)
where:
Base-Base interactions energy: -120.313
where: short stacking energy: -59.604
Base-Backbone interact. energy: 0.232
local terms energy: -71.775951
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -12.220
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: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -104.950916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.950916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.950916 (E_RNA)
where:
Base-Base interactions energy: -41.089
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.129
local terms energy: -63.732645
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -92.467276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.467276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.467276 (E_RNA)
where:
Base-Base interactions energy: -48.064
where: short stacking energy: -40.710
Base-Backbone interact. energy: -0.209
local terms energy: -44.193664
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -3.011
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -80.513162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.513162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.513162 (E_RNA)
where:
Base-Base interactions energy: -29.808
where: short stacking energy: -29.484
Base-Backbone interact. energy: -0.132
local terms energy: -50.572967
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -86.268852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.268852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.268852 (E_RNA)
where:
Base-Base interactions energy: -42.557
where: short stacking energy: -33.658
Base-Backbone interact. energy: -1.140
local terms energy: -42.571390
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -225.919851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.919851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.919851 (E_RNA)
where:
Base-Base interactions energy: -155.690
where: short stacking energy: -65.600
Base-Backbone interact. energy: 0.166
local terms energy: -70.395909
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -194.840701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.840701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.840701 (E_RNA)
where:
Base-Base interactions energy: -132.104
where: short stacking energy: -56.007
Base-Backbone interact. energy: -1.045
local terms energy: -61.690950
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -193.030893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.030893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.030893 (E_RNA)
where:
Base-Base interactions energy: -125.754
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.463
local terms energy: -66.814043
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -9.648
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: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -222.490643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.490643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.490643 (E_RNA)
where:
Base-Base interactions energy: -149.595
where: short stacking energy: -76.031
Base-Backbone interact. energy: -0.280
local terms energy: -72.615897
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -22.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -175.184423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.184423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.184423 (E_RNA)
where:
Base-Base interactions energy: -104.841
where: short stacking energy: -48.263
Base-Backbone interact. energy: -1.121
local terms energy: -69.222723
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -175.539189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.539189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.539189 (E_RNA)
where:
Base-Base interactions energy: -112.880
where: short stacking energy: -52.086
Base-Backbone interact. energy: 0.078
local terms energy: -62.737466
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -100.201903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.201903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.201903 (E_RNA)
where:
Base-Base interactions energy: -41.737
where: short stacking energy: -36.080
Base-Backbone interact. energy: -0.115
local terms energy: -58.350132
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -7.003
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: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -87.986345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.986345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.986345 (E_RNA)
where:
Base-Base interactions energy: -36.557
where: short stacking energy: -36.557
Base-Backbone interact. energy: -0.871
local terms energy: -50.558359
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -8.102
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: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -89.583084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.583084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.583084 (E_RNA)
where:
Base-Base interactions energy: -34.338
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.091
local terms energy: -55.153660
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -81.346101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.346101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.346101 (E_RNA)
where:
Base-Base interactions energy: -38.216
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.075
local terms energy: -43.055263
where:
bonds (distance) C4'-P energy: -6.996
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -4.075
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: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -226.265958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.265958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.265958 (E_RNA)
where:
Base-Base interactions energy: -155.795
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.123
local terms energy: -70.348657
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -12.275
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: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -202.611610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.611610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.611610 (E_RNA)
where:
Base-Base interactions energy: -132.216
where: short stacking energy: -58.688
Base-Backbone interact. energy: 0.511
local terms energy: -70.906041
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -12.701
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: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -188.628178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.628178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.628178 (E_RNA)
where:
Base-Base interactions energy: -118.830
where: short stacking energy: -62.639
Base-Backbone interact. energy: -0.184
local terms energy: -69.613797
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -221.799901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.799901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799901 (E_RNA)
where:
Base-Base interactions energy: -139.750
where: short stacking energy: -64.715
Base-Backbone interact. energy: -0.317
local terms energy: -81.733419
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -10.494
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: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -180.545444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.545444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.545444 (E_RNA)
where:
Base-Base interactions energy: -113.620
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.029
local terms energy: -66.896699
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -8.989
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: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -179.662496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.662496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.662496 (E_RNA)
where:
Base-Base interactions energy: -118.561
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.102
local terms energy: -60.999467
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -10.246
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: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -112.679946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.679946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.679946 (E_RNA)
where:
Base-Base interactions energy: -55.137
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.669
local terms energy: -56.873391
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -103.885440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.885440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.885440 (E_RNA)
where:
Base-Base interactions energy: -53.866
where: short stacking energy: -25.630
Base-Backbone interact. energy: -0.235
local terms energy: -49.785316
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -4.657
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: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -80.592456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.592456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.592456 (E_RNA)
where:
Base-Base interactions energy: -35.479
where: short stacking energy: -34.678
Base-Backbone interact. energy: -0.385
local terms energy: -44.728242
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -2.821
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: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -71.001183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.001183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.001183 (E_RNA)
where:
Base-Base interactions energy: -33.261
where: short stacking energy: -22.453
Base-Backbone interact. energy: -0.255
local terms energy: -37.485148
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -3.861
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: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -229.612641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.612641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.612641 (E_RNA)
where:
Base-Base interactions energy: -150.285
where: short stacking energy: -73.209
Base-Backbone interact. energy: -0.010
local terms energy: -79.317286
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -20.422
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: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -186.343388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.343388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.343388 (E_RNA)
where:
Base-Base interactions energy: -111.727
where: short stacking energy: -55.588
Base-Backbone interact. energy: -0.129
local terms energy: -74.486991
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -229.273420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.273420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.273420 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -71.227
Base-Backbone interact. energy: -1.667
local terms energy: -75.720078
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -19.809
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: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -196.594121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.594121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.594121 (E_RNA)
where:
Base-Base interactions energy: -134.099
where: short stacking energy: -59.647
Base-Backbone interact. energy: -0.347
local terms energy: -62.147964
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -182.605720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.605720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.605720 (E_RNA)
where:
Base-Base interactions energy: -113.537
where: short stacking energy: -55.825
Base-Backbone interact. energy: -0.027
local terms energy: -69.042297
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -173.679058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.679058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.679058 (E_RNA)
where:
Base-Base interactions energy: -106.583
where: short stacking energy: -50.155
Base-Backbone interact. energy: -0.188
local terms energy: -66.907930
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -108.498020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.498020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.498020 (E_RNA)
where:
Base-Base interactions energy: -53.722
where: short stacking energy: -34.603
Base-Backbone interact. energy: 0.102
local terms energy: -54.878118
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -1.360
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: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -91.337581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.337581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.337581 (E_RNA)
where:
Base-Base interactions energy: -35.340
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.065
local terms energy: -55.932509
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -91.370011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.370011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.370011 (E_RNA)
where:
Base-Base interactions energy: -44.925
where: short stacking energy: -25.460
Base-Backbone interact. energy: -0.159
local terms energy: -46.285460
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: 2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -72.792050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.792050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.792050 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -14.520
Base-Backbone interact. energy: -1.127
local terms energy: -43.046922
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: 3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -228.053031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.053031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.053031 (E_RNA)
where:
Base-Base interactions energy: -154.776
where: short stacking energy: -74.615
Base-Backbone interact. energy: -0.573
local terms energy: -72.703657
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -222.363074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.363074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.363074 (E_RNA)
where:
Base-Base interactions energy: -145.046
where: short stacking energy: -68.799
Base-Backbone interact. energy: -0.218
local terms energy: -77.098840
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -21.351
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: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -196.777584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.777584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.777584 (E_RNA)
where:
Base-Base interactions energy: -134.307
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.067
local terms energy: -62.404321
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -186.015193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.015193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.015193 (E_RNA)
where:
Base-Base interactions energy: -119.860
where: short stacking energy: -59.841
Base-Backbone interact. energy: -0.086
local terms energy: -66.069359
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -9.263
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: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -181.544457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.544457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.544457 (E_RNA)
where:
Base-Base interactions energy: -117.932
where: short stacking energy: -53.071
Base-Backbone interact. energy: -0.209
local terms energy: -63.404035
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -7.957
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: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -192.892763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.892763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.892763 (E_RNA)
where:
Base-Base interactions energy: -126.421
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.109
local terms energy: -66.363012
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -95.533987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.533987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.533987 (E_RNA)
where:
Base-Base interactions energy: -41.577
where: short stacking energy: -41.577
Base-Backbone interact. energy: -1.007
local terms energy: -52.950341
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -92.335998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.335998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.335998 (E_RNA)
where:
Base-Base interactions energy: -43.542
where: short stacking energy: -24.043
Base-Backbone interact. energy: -0.107
local terms energy: -48.686933
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: 1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -88.656630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.656630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.656630 (E_RNA)
where:
Base-Base interactions energy: -38.771
where: short stacking energy: -28.478
Base-Backbone interact. energy: -0.699
local terms energy: -49.186872
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -8.232
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -77.715189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.715189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.715189 (E_RNA)
where:
Base-Base interactions energy: -27.388
where: short stacking energy: -23.971
Base-Backbone interact. energy: -0.416
local terms energy: -49.910500
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -218.812868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.812868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.812868 (E_RNA)
where:
Base-Base interactions energy: -147.023
where: short stacking energy: -71.317
Base-Backbone interact. energy: -0.254
local terms energy: -71.535684
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -224.182219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.182219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.182219 (E_RNA)
where:
Base-Base interactions energy: -147.321
where: short stacking energy: -72.263
Base-Backbone interact. energy: 0.160
local terms energy: -77.021286
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -12.851
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: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -185.305074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.305074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.305074 (E_RNA)
where:
Base-Base interactions energy: -121.576
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.126
local terms energy: -63.603692
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -188.226553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.226553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.226553 (E_RNA)
where:
Base-Base interactions energy: -121.817
where: short stacking energy: -60.538
Base-Backbone interact. energy: -0.055
local terms energy: -66.355374
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -208.486623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.486623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.486623 (E_RNA)
where:
Base-Base interactions energy: -139.527
where: short stacking energy: -67.022
Base-Backbone interact. energy: -0.056
local terms energy: -68.902992
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -11.876
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: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -170.534650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.534650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.534650 (E_RNA)
where:
Base-Base interactions energy: -107.003
where: short stacking energy: -52.367
Base-Backbone interact. energy: -0.172
local terms energy: -63.359550
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -103.213042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.213042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.213042 (E_RNA)
where:
Base-Base interactions energy: -52.658
where: short stacking energy: -38.041
Base-Backbone interact. energy: -0.142
local terms energy: -50.412552
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -115.698298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.698298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.698298 (E_RNA)
where:
Base-Base interactions energy: -59.904
where: short stacking energy: -26.815
Base-Backbone interact. energy: -0.321
local terms energy: -55.473199
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -10.117
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: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -112.996446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.996446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.996446 (E_RNA)
where:
Base-Base interactions energy: -69.762
where: short stacking energy: -35.714
Base-Backbone interact. energy: 0.075
local terms energy: -43.308654
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -90.447163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.447163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.447163 (E_RNA)
where:
Base-Base interactions energy: -43.062
where: short stacking energy: -31.753
Base-Backbone interact. energy: -0.311
local terms energy: -47.074745
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -4.268
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: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -227.612868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.612868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.612868 (E_RNA)
where:
Base-Base interactions energy: -145.862
where: short stacking energy: -76.108
Base-Backbone interact. energy: -0.396
local terms energy: -81.354745
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -21.634
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: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -188.122610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.122610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.122610 (E_RNA)
where:
Base-Base interactions energy: -122.642
where: short stacking energy: -59.179
Base-Backbone interact. energy: 0.212
local terms energy: -65.692665
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -10.692
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: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -226.345052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.345052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.345052 (E_RNA)
where:
Base-Base interactions energy: -150.500
where: short stacking energy: -69.540
Base-Backbone interact. energy: -0.149
local terms energy: -75.696232
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -188.562274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.562274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.562274 (E_RNA)
where:
Base-Base interactions energy: -116.445
where: short stacking energy: -47.377
Base-Backbone interact. energy: 0.871
local terms energy: -72.988453
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -191.967159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.967159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.967159 (E_RNA)
where:
Base-Base interactions energy: -121.511
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.005
local terms energy: -70.451344
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -185.279463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.279463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.279463 (E_RNA)
where:
Base-Base interactions energy: -116.789
where: short stacking energy: -59.263
Base-Backbone interact. energy: -0.006
local terms energy: -68.485245
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -130.191066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.191066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.191066 (E_RNA)
where:
Base-Base interactions energy: -87.953
where: short stacking energy: -44.488
Base-Backbone interact. energy: 0.141
local terms energy: -42.378899
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -6.365
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -6.279
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: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -124.600416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.600416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.600416 (E_RNA)
where:
Base-Base interactions energy: -72.329
where: short stacking energy: -39.949
Base-Backbone interact. energy: 2.797
local terms energy: -55.067829
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -83.685128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.685128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.685128 (E_RNA)
where:
Base-Base interactions energy: -32.058
where: short stacking energy: -28.148
Base-Backbone interact. energy: -0.003
local terms energy: -51.624129
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -76.831854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.831854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.831854 (E_RNA)
where:
Base-Base interactions energy: -30.888
where: short stacking energy: -11.384
Base-Backbone interact. energy: 1.477
local terms energy: -47.420657
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -9.900
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: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -218.997701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.997701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.997701 (E_RNA)
where:
Base-Base interactions energy: -143.427
where: short stacking energy: -70.908
Base-Backbone interact. energy: -0.004
local terms energy: -75.566591
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -20.633
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: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -202.935472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.935472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.935472 (E_RNA)
where:
Base-Base interactions energy: -129.864
where: short stacking energy: -73.166
Base-Backbone interact. energy: 0.465
local terms energy: -73.536280
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -225.309190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.309190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.309190 (E_RNA)
where:
Base-Base interactions energy: -154.176
where: short stacking energy: -69.973
Base-Backbone interact. energy: -0.296
local terms energy: -70.836955
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -13.069
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: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -207.425774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.425774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.425774 (E_RNA)
where:
Base-Base interactions energy: -141.139
where: short stacking energy: -61.940
Base-Backbone interact. energy: -1.252
local terms energy: -65.034286
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -16.427
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: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -202.771498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.771498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.771498 (E_RNA)
where:
Base-Base interactions energy: -129.016
where: short stacking energy: -67.720
Base-Backbone interact. energy: 0.235
local terms energy: -73.990417
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -176.587744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.587744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.587744 (E_RNA)
where:
Base-Base interactions energy: -115.574
where: short stacking energy: -49.485
Base-Backbone interact. energy: -0.109
local terms energy: -60.904855
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -4.085
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: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -86.146163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.146163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.146163 (E_RNA)
where:
Base-Base interactions energy: -37.495
where: short stacking energy: -23.036
Base-Backbone interact. energy: -0.170
local terms energy: -48.480848
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -2.861
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: 360
Temperature: 1.250000
Total energy: -141.825782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.825782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.825782 (E_RNA)
where:
Base-Base interactions energy: -88.408
where: short stacking energy: -40.888
Base-Backbone interact. energy: -0.165
local terms energy: -53.253090
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -86.417918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.417918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.417918 (E_RNA)
where:
Base-Base interactions energy: -29.460
where: short stacking energy: -27.127
Base-Backbone interact. energy: -0.256
local terms energy: -56.701680
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -4.097
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: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -88.091460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.091460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.091460 (E_RNA)
where:
Base-Base interactions energy: -50.858
where: short stacking energy: -26.267
Base-Backbone interact. energy: -0.448
local terms energy: -36.786201
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -5.786
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -225.343426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.343426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.343426 (E_RNA)
where:
Base-Base interactions energy: -146.675
where: short stacking energy: -71.678
Base-Backbone interact. energy: -0.129
local terms energy: -78.539167
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -21.245
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: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -220.865269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.865269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.865269 (E_RNA)
where:
Base-Base interactions energy: -151.370
where: short stacking energy: -71.865
Base-Backbone interact. energy: -0.008
local terms energy: -69.487373
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -12.327
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: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -192.557435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.557435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.557435 (E_RNA)
where:
Base-Base interactions energy: -125.848
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.072
local terms energy: -66.637403
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -197.220276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.220276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.220276 (E_RNA)
where:
Base-Base interactions energy: -127.676
where: short stacking energy: -51.413
Base-Backbone interact. energy: 0.482
local terms energy: -70.026309
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -189.430313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.430313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.430313 (E_RNA)
where:
Base-Base interactions energy: -124.398
where: short stacking energy: -51.811
Base-Backbone interact. energy: -1.329
local terms energy: -63.703120
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -12.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -174.525557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.525557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.525557 (E_RNA)
where:
Base-Base interactions energy: -114.162
where: short stacking energy: -58.052
Base-Backbone interact. energy: -0.077
local terms energy: -60.286386
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -12.404
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: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -97.495380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.495380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.495380 (E_RNA)
where:
Base-Base interactions energy: -38.146
where: short stacking energy: -38.146
Base-Backbone interact. energy: -0.071
local terms energy: -59.278627
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -172.104532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.104532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.104532 (E_RNA)
where:
Base-Base interactions energy: -107.164
where: short stacking energy: -54.147
Base-Backbone interact. energy: -0.242
local terms energy: -64.697641
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -83.353907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.353907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.353907 (E_RNA)
where:
Base-Base interactions energy: -27.587
where: short stacking energy: -22.783
Base-Backbone interact. energy: -0.075
local terms energy: -55.692280
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -7.198
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: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -76.143319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.143319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.143319 (E_RNA)
where:
Base-Base interactions energy: -29.136
where: short stacking energy: -20.431
Base-Backbone interact. energy: -0.205
local terms energy: -46.802376
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: 2.840
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: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -228.710064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.710064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.710064 (E_RNA)
where:
Base-Base interactions energy: -149.583
where: short stacking energy: -72.865
Base-Backbone interact. energy: -0.292
local terms energy: -78.835510
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -225.372634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.372634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.372634 (E_RNA)
where:
Base-Base interactions energy: -150.802
where: short stacking energy: -72.849
Base-Backbone interact. energy: -0.042
local terms energy: -74.528759
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -19.163
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: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -207.826572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.826572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.826572 (E_RNA)
where:
Base-Base interactions energy: -136.049
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.648
local terms energy: -71.128934
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -18.070
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: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -190.292774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.292774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.292774 (E_RNA)
where:
Base-Base interactions energy: -118.207
where: short stacking energy: -60.767
Base-Backbone interact. energy: -0.028
local terms energy: -72.057048
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -15.361
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: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -186.841552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.841552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.841552 (E_RNA)
where:
Base-Base interactions energy: -118.372
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.465
local terms energy: -68.004173
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -6.953
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: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -175.483642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.483642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.483642 (E_RNA)
where:
Base-Base interactions energy: -112.316
where: short stacking energy: -53.493
Base-Backbone interact. energy: -0.033
local terms energy: -63.135264
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -183.853321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.853321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.853321 (E_RNA)
where:
Base-Base interactions energy: -122.131
where: short stacking energy: -51.637
Base-Backbone interact. energy: -0.385
local terms energy: -61.337929
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -90.198971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.198971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.198971 (E_RNA)
where:
Base-Base interactions energy: -37.887
where: short stacking energy: -37.887
Base-Backbone interact. energy: -0.060
local terms energy: -52.252499
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -84.325551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.325551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.325551 (E_RNA)
where:
Base-Base interactions energy: -27.406
where: short stacking energy: -27.406
Base-Backbone interact. energy: -0.117
local terms energy: -56.802622
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -80.178506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.178506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.178506 (E_RNA)
where:
Base-Base interactions energy: -25.985
where: short stacking energy: -20.910
Base-Backbone interact. energy: -0.065
local terms energy: -54.128981
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -231.374678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.374678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.374678 (E_RNA)
where:
Base-Base interactions energy: -155.059
where: short stacking energy: -69.604
Base-Backbone interact. energy: -0.086
local terms energy: -76.229400
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -9.855
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: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -210.341906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.341906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.341906 (E_RNA)
where:
Base-Base interactions energy: -139.058
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.696
local terms energy: -70.587832
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -226.537294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.537294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.537294 (E_RNA)
where:
Base-Base interactions energy: -150.745
where: short stacking energy: -72.098
Base-Backbone interact. energy: -0.001
local terms energy: -75.791531
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -194.716868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.716868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.716868 (E_RNA)
where:
Base-Base interactions energy: -126.642
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.512
local terms energy: -67.562628
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -175.242304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.242304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.242304 (E_RNA)
where:
Base-Base interactions energy: -112.977
where: short stacking energy: -50.040
Base-Backbone interact. energy: -0.099
local terms energy: -62.166878
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -14.394
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: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -182.098736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.098736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.098736 (E_RNA)
where:
Base-Base interactions energy: -113.856
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.875
local terms energy: -67.367691
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -172.979962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.979962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.979962 (E_RNA)
where:
Base-Base interactions energy: -107.941
where: short stacking energy: -52.558
Base-Backbone interact. energy: -0.087
local terms energy: -64.951939
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -10.210
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: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -76.867743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.867743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.867743 (E_RNA)
where:
Base-Base interactions energy: -35.691
where: short stacking energy: -21.752
Base-Backbone interact. energy: -0.486
local terms energy: -40.690700
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -3.721
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: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -78.730165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.730165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.730165 (E_RNA)
where:
Base-Base interactions energy: -32.064
where: short stacking energy: -32.064
Base-Backbone interact. energy: 0.933
local terms energy: -47.599597
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -0.354
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: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -80.527238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.527238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.527238 (E_RNA)
where:
Base-Base interactions energy: -28.220
where: short stacking energy: -23.934
Base-Backbone interact. energy: -0.075
local terms energy: -52.232222
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -5.064
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: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -218.332595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.332595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.332595 (E_RNA)
where:
Base-Base interactions energy: -147.783
where: short stacking energy: -63.641
Base-Backbone interact. energy: -1.071
local terms energy: -69.478629
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -217.332685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.332685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.332685 (E_RNA)
where:
Base-Base interactions energy: -144.990
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.339
local terms energy: -72.002832
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -16.779
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: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -226.487996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.487996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.487996 (E_RNA)
where:
Base-Base interactions energy: -143.400
where: short stacking energy: -69.901
Base-Backbone interact. energy: -0.586
local terms energy: -82.502108
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -14.220
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: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -209.480082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.480082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.480082 (E_RNA)
where:
Base-Base interactions energy: -135.286
where: short stacking energy: -64.193
Base-Backbone interact. energy: -0.735
local terms energy: -73.458570
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -197.530958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.530958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.530958 (E_RNA)
where:
Base-Base interactions energy: -134.887
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.083
local terms energy: -62.560566
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -183.593514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.593514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.593514 (E_RNA)
where:
Base-Base interactions energy: -127.558
where: short stacking energy: -54.777
Base-Backbone interact. energy: -0.191
local terms energy: -55.844867
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -10.670
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: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -184.973606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.973606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.973606 (E_RNA)
where:
Base-Base interactions energy: -124.357
where: short stacking energy: -61.983
Base-Backbone interact. energy: -0.008
local terms energy: -60.608515
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -84.914924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.914924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.914924 (E_RNA)
where:
Base-Base interactions energy: -34.966
where: short stacking energy: -30.229
Base-Backbone interact. energy: 1.048
local terms energy: -50.996254
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -4.481
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: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -84.131058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.131058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.131058 (E_RNA)
where:
Base-Base interactions energy: -38.047
where: short stacking energy: -38.047
Base-Backbone interact. energy: -0.224
local terms energy: -45.860792
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -4.936
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -91.584018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.584018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.584018 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -29.084
Base-Backbone interact. energy: 1.706
local terms energy: -57.030520
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -218.174746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.174746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.174746 (E_RNA)
where:
Base-Base interactions energy: -145.744
where: short stacking energy: -65.721
Base-Backbone interact. energy: -0.347
local terms energy: -72.083820
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -15.722
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: 365
Temperature: 0.950000
Total energy: -233.971451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.971451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.971451 (E_RNA)
where:
Base-Base interactions energy: -156.049
where: short stacking energy: -78.924
Base-Backbone interact. energy: -0.091
local terms energy: -77.831508
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -223.627813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.627813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.627813 (E_RNA)
where:
Base-Base interactions energy: -155.321
where: short stacking energy: -77.578
Base-Backbone interact. energy: 1.028
local terms energy: -69.335024
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -7.143
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: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -201.279049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.279049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.279049 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.058
local terms energy: -72.144398
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -193.857462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.857462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.857462 (E_RNA)
where:
Base-Base interactions energy: -130.606
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.505
local terms energy: -62.746377
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -184.132965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.132965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.132965 (E_RNA)
where:
Base-Base interactions energy: -124.965
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.097
local terms energy: -59.070896
where:
bonds (distance) C4'-P energy: -2.760
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -11.815
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: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -169.299924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.299924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.299924 (E_RNA)
where:
Base-Base interactions energy: -109.680
where: short stacking energy: -48.728
Base-Backbone interact. energy: -0.022
local terms energy: -59.597878
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -91.867102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.867102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.867102 (E_RNA)
where:
Base-Base interactions energy: -47.234
where: short stacking energy: -21.774
Base-Backbone interact. energy: -0.261
local terms energy: -44.371421
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -78.335484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.335484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.335484 (E_RNA)
where:
Base-Base interactions energy: -28.328
where: short stacking energy: -27.254
Base-Backbone interact. energy: -0.272
local terms energy: -49.735758
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -83.922244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.922244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.922244 (E_RNA)
where:
Base-Base interactions energy: -35.215
where: short stacking energy: -27.315
Base-Backbone interact. energy: -0.111
local terms energy: -48.596083
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -228.897728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.897728 (E_RNA)
where:
Base-Base interactions energy: -148.748
where: short stacking energy: -77.420
Base-Backbone interact. energy: -0.156
local terms energy: -79.993695
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -11.530
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: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -219.111616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.111616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.111616 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.571
local terms energy: -73.032448
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -218.622315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.622315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.622315 (E_RNA)
where:
Base-Base interactions energy: -146.921
where: short stacking energy: -67.031
Base-Backbone interact. energy: -0.020
local terms energy: -71.681985
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -219.141112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.141112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.141112 (E_RNA)
where:
Base-Base interactions energy: -138.032
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.002
local terms energy: -81.106698
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -189.354341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.354341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.354341 (E_RNA)
where:
Base-Base interactions energy: -120.395
where: short stacking energy: -50.458
Base-Backbone interact. energy: -0.295
local terms energy: -68.664450
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -177.713982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.713982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.713982 (E_RNA)
where:
Base-Base interactions energy: -116.060
where: short stacking energy: -59.788
Base-Backbone interact. energy: -0.008
local terms energy: -61.646442
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -8.547
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: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -94.425404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.425404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.425404 (E_RNA)
where:
Base-Base interactions energy: -43.435
where: short stacking energy: -29.512
Base-Backbone interact. energy: -0.145
local terms energy: -50.844776
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -3.584
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -155.172294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.172294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.172294 (E_RNA)
where:
Base-Base interactions energy: -104.522
where: short stacking energy: -48.685
Base-Backbone interact. energy: 0.248
local terms energy: -50.898857
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -9.546
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: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -82.996854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.996854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.996854 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -23.362
Base-Backbone interact. energy: -0.690
local terms energy: -52.926281
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -70.443456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.443456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.443456 (E_RNA)
where:
Base-Base interactions energy: -25.080
where: short stacking energy: -25.080
Base-Backbone interact. energy: -0.075
local terms energy: -45.288811
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -6.368
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -235.117603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.117603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.117603 (E_RNA)
where:
Base-Base interactions energy: -157.359
where: short stacking energy: -77.309
Base-Backbone interact. energy: -0.715
local terms energy: -77.043411
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -20.064
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: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -223.136050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.136050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.136050 (E_RNA)
where:
Base-Base interactions energy: -149.165
where: short stacking energy: -80.765
Base-Backbone interact. energy: -0.656
local terms energy: -73.314669
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -23.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -211.336072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.336072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.336072 (E_RNA)
where:
Base-Base interactions energy: -134.985
where: short stacking energy: -57.716
Base-Backbone interact. energy: 3.357
local terms energy: -79.708359
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -194.463112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.463112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.463112 (E_RNA)
where:
Base-Base interactions energy: -125.787
where: short stacking energy: -53.850
Base-Backbone interact. energy: -0.171
local terms energy: -68.505132
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -8.714
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: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -206.307985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.307985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.307985 (E_RNA)
where:
Base-Base interactions energy: -142.507
where: short stacking energy: -63.726
Base-Backbone interact. energy: -0.113
local terms energy: -63.688101
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -203.215954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.215954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.215954 (E_RNA)
where:
Base-Base interactions energy: -136.135
where: short stacking energy: -61.426
Base-Backbone interact. energy: -0.153
local terms energy: -66.927948
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -5.354
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: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -97.431226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.431226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.431226 (E_RNA)
where:
Base-Base interactions energy: -47.414
where: short stacking energy: -27.141
Base-Backbone interact. energy: -0.224
local terms energy: -49.793319
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -0.605
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: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -110.827181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.827181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.827181 (E_RNA)
where:
Base-Base interactions energy: -58.698
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.246
local terms energy: -51.883530
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -4.109
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: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -96.924736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.924736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.924736 (E_RNA)
where:
Base-Base interactions energy: -44.879
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.104
local terms energy: -51.941788
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -83.823827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.823827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.823827 (E_RNA)
where:
Base-Base interactions energy: -32.153
where: short stacking energy: -24.001
Base-Backbone interact. energy: 0.626
local terms energy: -52.296015
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -236.874892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.874892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.874892 (E_RNA)
where:
Base-Base interactions energy: -156.736
where: short stacking energy: -79.487
Base-Backbone interact. energy: -0.498
local terms energy: -79.641159
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -226.936438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.936438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.936438 (E_RNA)
where:
Base-Base interactions energy: -152.548
where: short stacking energy: -78.680
Base-Backbone interact. energy: -0.001
local terms energy: -74.387389
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -208.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.167456 (E_RNA)
where:
Base-Base interactions energy: -137.808
where: short stacking energy: -63.115
Base-Backbone interact. energy: -0.245
local terms energy: -70.114222
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -13.821
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: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -187.812022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.812022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.812022 (E_RNA)
where:
Base-Base interactions energy: -131.287
where: short stacking energy: -60.054
Base-Backbone interact. energy: -0.133
local terms energy: -56.391512
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -188.378405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.378405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.378405 (E_RNA)
where:
Base-Base interactions energy: -123.180
where: short stacking energy: -53.112
Base-Backbone interact. energy: 1.419
local terms energy: -66.617848
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -206.547189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.547189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.547189 (E_RNA)
where:
Base-Base interactions energy: -130.701
where: short stacking energy: -58.459
Base-Backbone interact. energy: -0.246
local terms energy: -75.600991
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -107.984216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.984216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.984216 (E_RNA)
where:
Base-Base interactions energy: -49.676
where: short stacking energy: -36.534
Base-Backbone interact. energy: -0.558
local terms energy: -57.750286
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -4.927
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: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -81.383451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.383451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.383451 (E_RNA)
where:
Base-Base interactions energy: -25.978
where: short stacking energy: -22.966
Base-Backbone interact. energy: -1.023
local terms energy: -54.383247
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -4.420
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: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -84.055065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.055065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.055065 (E_RNA)
where:
Base-Base interactions energy: -53.868
where: short stacking energy: -24.779
Base-Backbone interact. energy: -0.190
local terms energy: -29.997636
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: 1.747
tors. eta vs tors. theta energy: 2.636
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: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -78.769761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.769761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.769761 (E_RNA)
where:
Base-Base interactions energy: -34.620
where: short stacking energy: -27.677
Base-Backbone interact. energy: -0.259
local terms energy: -43.890842
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -7.744
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: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -229.977139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.977139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.977139 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -76.715
Base-Backbone interact. energy: -0.175
local terms energy: -83.189696
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -11.507
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: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -214.141610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.141610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.141610 (E_RNA)
where:
Base-Base interactions energy: -149.696
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.348
local terms energy: -64.097846
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -229.450336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.450336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.450336 (E_RNA)
where:
Base-Base interactions energy: -152.056
where: short stacking energy: -77.569
Base-Backbone interact. energy: -0.004
local terms energy: -77.390326
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -12.817
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: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -195.608462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.608462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.608462 (E_RNA)
where:
Base-Base interactions energy: -141.483
where: short stacking energy: -55.533
Base-Backbone interact. energy: -0.325
local terms energy: -53.800304
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -178.076103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.076103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.076103 (E_RNA)
where:
Base-Base interactions energy: -107.907
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.106
local terms energy: -70.062836
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -184.927878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.927878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.927878 (E_RNA)
where:
Base-Base interactions energy: -116.011
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.654
local terms energy: -68.263365
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -10.832
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: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -85.746210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.746210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.746210 (E_RNA)
where:
Base-Base interactions energy: -32.412
where: short stacking energy: -32.412
Base-Backbone interact. energy: -0.010
local terms energy: -53.324287
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -96.421561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.421561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.421561 (E_RNA)
where:
Base-Base interactions energy: -45.258
where: short stacking energy: -35.490
Base-Backbone interact. energy: 1.543
local terms energy: -52.706436
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -6.467
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: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -98.517625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.517625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.517625 (E_RNA)
where:
Base-Base interactions energy: -33.279
where: short stacking energy: -33.279
Base-Backbone interact. energy: -0.103
local terms energy: -65.135213
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -83.652640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652640 (E_RNA)
where:
Base-Base interactions energy: -39.298
where: short stacking energy: -35.712
Base-Backbone interact. energy: -0.191
local terms energy: -44.164065
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -4.159
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: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -224.571066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.571066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.571066 (E_RNA)
where:
Base-Base interactions energy: -146.068
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.516
local terms energy: -77.986893
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -19.214
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: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -219.814777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.814777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.814777 (E_RNA)
where:
Base-Base interactions energy: -138.680
where: short stacking energy: -63.410
Base-Backbone interact. energy: 1.178
local terms energy: -82.312909
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -14.119
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: 370
Temperature: 1.000000
Total energy: -201.807436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.807436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.807436 (E_RNA)
where:
Base-Base interactions energy: -129.047
where: short stacking energy: -69.097
Base-Backbone interact. energy: -0.030
local terms energy: -72.731116
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -7.060
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: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -206.843949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.843949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.843949 (E_RNA)
where:
Base-Base interactions energy: -133.984
where: short stacking energy: -70.507
Base-Backbone interact. energy: -0.055
local terms energy: -72.805805
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -11.849
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: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -221.693571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.693571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.693571 (E_RNA)
where:
Base-Base interactions energy: -149.503
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.347
local terms energy: -71.842811
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -12.016
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: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -167.487216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.487216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.487216 (E_RNA)
where:
Base-Base interactions energy: -110.653
where: short stacking energy: -46.272
Base-Backbone interact. energy: -0.004
local terms energy: -56.829687
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -7.498
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: 370
Temperature: 1.200000
Total energy: -86.650775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.650775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.650775 (E_RNA)
where:
Base-Base interactions energy: -30.413
where: short stacking energy: -21.291
Base-Backbone interact. energy: -1.612
local terms energy: -54.625596
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -94.324807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.324807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.324807 (E_RNA)
where:
Base-Base interactions energy: -47.191
where: short stacking energy: -24.821
Base-Backbone interact. energy: 1.076
local terms energy: -48.209604
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -9.015
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: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -90.191644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.191644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.191644 (E_RNA)
where:
Base-Base interactions energy: -44.931
where: short stacking energy: -29.695
Base-Backbone interact. energy: -0.145
local terms energy: -45.115593
where:
bonds (distance) C4'-P energy: -6.939
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -82.654385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.654385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.654385 (E_RNA)
where:
Base-Base interactions energy: -30.627
where: short stacking energy: -20.640
Base-Backbone interact. energy: 0.206
local terms energy: -52.233851
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -9.641
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: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -228.097932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.097932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.097932 (E_RNA)
where:
Base-Base interactions energy: -149.326
where: short stacking energy: -64.416
Base-Backbone interact. energy: -0.510
local terms energy: -78.262038
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -221.158164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.158164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.158164 (E_RNA)
where:
Base-Base interactions energy: -142.612
where: short stacking energy: -67.879
Base-Backbone interact. energy: -0.265
local terms energy: -78.281575
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -20.185
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: 371
Temperature: 1.000000
Total energy: -197.556604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.556604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.556604 (E_RNA)
where:
Base-Base interactions energy: -128.885
where: short stacking energy: -66.048
Base-Backbone interact. energy: -0.168
local terms energy: -68.503231
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -219.841979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.841979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.841979 (E_RNA)
where:
Base-Base interactions energy: -154.044
where: short stacking energy: -69.158
Base-Backbone interact. energy: -0.011
local terms energy: -65.786970
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -21.331
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -212.403384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.403384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.403384 (E_RNA)
where:
Base-Base interactions energy: -139.861
where: short stacking energy: -71.025
Base-Backbone interact. energy: -0.000
local terms energy: -72.542280
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -14.544
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: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -172.755521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.755521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.755521 (E_RNA)
where:
Base-Base interactions energy: -113.767
where: short stacking energy: -57.401
Base-Backbone interact. energy: -0.096
local terms energy: -58.892672
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -3.176
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -98.776135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.776135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.776135 (E_RNA)
where:
Base-Base interactions energy: -50.533
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.092
local terms energy: -48.151594
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -120.371588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.371588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.371588 (E_RNA)
where:
Base-Base interactions energy: -69.968
where: short stacking energy: -31.233
Base-Backbone interact. energy: -0.279
local terms energy: -50.124964
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -5.321
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: 371
Temperature: 1.300000
Total energy: -85.177431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.177431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.177431 (E_RNA)
where:
Base-Base interactions energy: -31.972
where: short stacking energy: -30.059
Base-Backbone interact. energy: -0.713
local terms energy: -52.492728
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -78.400279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.400279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.400279 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -17.794
Base-Backbone interact. energy: -0.296
local terms energy: -51.425122
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -228.724172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.724172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.724172 (E_RNA)
where:
Base-Base interactions energy: -148.814
where: short stacking energy: -67.748
Base-Backbone interact. energy: -0.100
local terms energy: -79.810037
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -12.737
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: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -218.378299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.378299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.378299 (E_RNA)
where:
Base-Base interactions energy: -146.859
where: short stacking energy: -62.374
Base-Backbone interact. energy: -2.088
local terms energy: -69.431075
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -217.564580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.564580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.564580 (E_RNA)
where:
Base-Base interactions energy: -149.411
where: short stacking energy: -73.124
Base-Backbone interact. energy: -0.082
local terms energy: -68.071284
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -180.367478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.367478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.367478 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -44.190
Base-Backbone interact. energy: 0.346
local terms energy: -63.313065
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -181.694827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.694827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.694827 (E_RNA)
where:
Base-Base interactions energy: -114.427
where: short stacking energy: -58.498
Base-Backbone interact. energy: 0.031
local terms energy: -67.298714
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -6.943
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -196.702275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.702275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.702275 (E_RNA)
where:
Base-Base interactions energy: -132.355
where: short stacking energy: -61.352
Base-Backbone interact. energy: -0.003
local terms energy: -64.344041
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -19.063
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: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -110.146551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.146551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.146551 (E_RNA)
where:
Base-Base interactions energy: -57.325
where: short stacking energy: -32.100
Base-Backbone interact. energy: -0.130
local terms energy: -52.691435
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -9.788
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -107.759533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.759533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.759533 (E_RNA)
where:
Base-Base interactions energy: -52.026
where: short stacking energy: -37.327
Base-Backbone interact. energy: 2.269
local terms energy: -58.003063
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -8.834
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: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -92.118462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.118462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.118462 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -30.075
Base-Backbone interact. energy: 0.140
local terms energy: -55.597127
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -90.922686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.922686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.922686 (E_RNA)
where:
Base-Base interactions energy: -43.177
where: short stacking energy: -36.656
Base-Backbone interact. energy: -0.407
local terms energy: -47.338265
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -229.399377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.399377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.399377 (E_RNA)
where:
Base-Base interactions energy: -150.405
where: short stacking energy: -72.123
Base-Backbone interact. energy: -0.001
local terms energy: -78.993012
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -233.283506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.283506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.283506 (E_RNA)
where:
Base-Base interactions energy: -151.159
where: short stacking energy: -75.435
Base-Backbone interact. energy: -0.000
local terms energy: -82.123965
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -209.717228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.717228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.717228 (E_RNA)
where:
Base-Base interactions energy: -147.015
where: short stacking energy: -50.425
Base-Backbone interact. energy: -1.978
local terms energy: -60.724284
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -6.735
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -194.797711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.797711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.797711 (E_RNA)
where:
Base-Base interactions energy: -122.986
where: short stacking energy: -55.970
Base-Backbone interact. energy: -0.697
local terms energy: -71.114760
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.844
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: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -179.837377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.837377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.837377 (E_RNA)
where:
Base-Base interactions energy: -120.711
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.155
local terms energy: -58.971117
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -8.289
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: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -178.253795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.253795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.253795 (E_RNA)
where:
Base-Base interactions energy: -117.524
where: short stacking energy: -55.081
Base-Backbone interact. energy: -0.039
local terms energy: -60.691010
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -9.032
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -97.280807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.280807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.280807 (E_RNA)
where:
Base-Base interactions energy: -41.595
where: short stacking energy: -31.911
Base-Backbone interact. energy: 0.000
local terms energy: -55.685710
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -8.101
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: 373
Temperature: 1.250000
Total energy: -114.418972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.418972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.418972 (E_RNA)
where:
Base-Base interactions energy: -55.198
where: short stacking energy: -51.295
Base-Backbone interact. energy: -0.014
local terms energy: -59.207910
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -81.878402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.878402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.878402 (E_RNA)
where:
Base-Base interactions energy: -42.200
where: short stacking energy: -27.525
Base-Backbone interact. energy: 0.099
local terms energy: -39.777399
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -81.197544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.197544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.197544 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -31.545
Base-Backbone interact. energy: -0.439
local terms energy: -46.166368
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -233.887367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.887367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.887367 (E_RNA)
where:
Base-Base interactions energy: -159.370
where: short stacking energy: -74.343
Base-Backbone interact. energy: -0.003
local terms energy: -74.515071
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -12.720
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: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -226.702406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.702406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.702406 (E_RNA)
where:
Base-Base interactions energy: -147.146
where: short stacking energy: -71.637
Base-Backbone interact. energy: -0.002
local terms energy: -79.554541
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -9.727
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: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -210.299545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.299545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.299545 (E_RNA)
where:
Base-Base interactions energy: -140.915
where: short stacking energy: -55.793
Base-Backbone interact. energy: -0.644
local terms energy: -68.740157
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -192.977358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.977358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.977358 (E_RNA)
where:
Base-Base interactions energy: -120.520
where: short stacking energy: -56.018
Base-Backbone interact. energy: -1.190
local terms energy: -71.266567
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.025
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: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -171.667357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.667357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.667357 (E_RNA)
where:
Base-Base interactions energy: -108.860
where: short stacking energy: -51.188
Base-Backbone interact. energy: -0.042
local terms energy: -62.765126
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -178.428149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.428149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.428149 (E_RNA)
where:
Base-Base interactions energy: -119.088
where: short stacking energy: -57.498
Base-Backbone interact. energy: -0.054
local terms energy: -59.285847
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -5.096
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: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -154.099108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.099108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.099108 (E_RNA)
where:
Base-Base interactions energy: -94.834
where: short stacking energy: -51.085
Base-Backbone interact. energy: -0.275
local terms energy: -58.990251
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -93.601492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.601492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.601492 (E_RNA)
where:
Base-Base interactions energy: -52.158
where: short stacking energy: -31.149
Base-Backbone interact. energy: 0.635
local terms energy: -42.078968
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: 3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -88.715803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.715803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.715803 (E_RNA)
where:
Base-Base interactions energy: -34.278
where: short stacking energy: -31.919
Base-Backbone interact. energy: -2.248
local terms energy: -52.188878
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: 1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -85.282766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.282766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.282766 (E_RNA)
where:
Base-Base interactions energy: -38.244
where: short stacking energy: -33.034
Base-Backbone interact. energy: -0.603
local terms energy: -46.435725
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -8.887
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: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -229.158628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.158628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.158628 (E_RNA)
where:
Base-Base interactions energy: -150.306
where: short stacking energy: -77.773
Base-Backbone interact. energy: -0.001
local terms energy: -78.851954
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -224.793548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.793548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.793548 (E_RNA)
where:
Base-Base interactions energy: -148.509
where: short stacking energy: -68.460
Base-Backbone interact. energy: -0.001
local terms energy: -76.282802
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -11.062
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: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -208.246851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.246851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.246851 (E_RNA)
where:
Base-Base interactions energy: -140.962
where: short stacking energy: -54.267
Base-Backbone interact. energy: -0.532
local terms energy: -66.753514
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -210.685688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.685688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.685688 (E_RNA)
where:
Base-Base interactions energy: -135.630
where: short stacking energy: -70.779
Base-Backbone interact. energy: -0.002
local terms energy: -75.052937
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -10.748
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: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -190.224107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.224107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.224107 (E_RNA)
where:
Base-Base interactions energy: -122.255
where: short stacking energy: -59.106
Base-Backbone interact. energy: -0.472
local terms energy: -67.497383
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.550
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: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -180.095785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.095785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.095785 (E_RNA)
where:
Base-Base interactions energy: -106.704
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.151
local terms energy: -73.241349
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -13.539
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: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -129.787923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.787923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.787923 (E_RNA)
where:
Base-Base interactions energy: -74.536
where: short stacking energy: -34.346
Base-Backbone interact. energy: -0.008
local terms energy: -55.244653
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -7.279
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: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -89.815538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.815538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.815538 (E_RNA)
where:
Base-Base interactions energy: -34.582
where: short stacking energy: -27.690
Base-Backbone interact. energy: -0.068
local terms energy: -55.165381
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: 0.955
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: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -80.382421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.382421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.382421 (E_RNA)
where:
Base-Base interactions energy: -23.324
where: short stacking energy: -21.676
Base-Backbone interact. energy: -0.153
local terms energy: -56.905202
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -72.162526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.162526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.162526 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -17.204
Base-Backbone interact. energy: -1.061
local terms energy: -36.191515
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -6.371
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -223.450528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.450528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.450528 (E_RNA)
where:
Base-Base interactions energy: -140.851
where: short stacking energy: -76.565
Base-Backbone interact. energy: -0.283
local terms energy: -82.316489
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -230.718787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.718787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.718787 (E_RNA)
where:
Base-Base interactions energy: -144.213
where: short stacking energy: -69.623
Base-Backbone interact. energy: -0.252
local terms energy: -86.253806
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -226.342348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.342348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.342348 (E_RNA)
where:
Base-Base interactions energy: -147.892
where: short stacking energy: -69.410
Base-Backbone interact. energy: -0.772
local terms energy: -77.678196
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -22.418
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: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -205.814188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.814188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.814188 (E_RNA)
where:
Base-Base interactions energy: -133.341
where: short stacking energy: -63.313
Base-Backbone interact. energy: -0.341
local terms energy: -72.132867
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -196.369277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.369277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.369277 (E_RNA)
where:
Base-Base interactions energy: -127.552
where: short stacking energy: -50.504
Base-Backbone interact. energy: 0.146
local terms energy: -68.963613
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -9.922
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: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -185.556076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.556076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.556076 (E_RNA)
where:
Base-Base interactions energy: -115.563
where: short stacking energy: -54.265
Base-Backbone interact. energy: -0.325
local terms energy: -69.668513
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -8.437
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: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -138.981979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.981979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.981979 (E_RNA)
where:
Base-Base interactions energy: -89.245
where: short stacking energy: -48.580
Base-Backbone interact. energy: -0.224
local terms energy: -49.512215
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -8.107
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: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -90.327582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.327582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.327582 (E_RNA)
where:
Base-Base interactions energy: -36.886
where: short stacking energy: -18.659
Base-Backbone interact. energy: -0.282
local terms energy: -53.159517
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -76.715379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.715379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.715379 (E_RNA)
where:
Base-Base interactions energy: -31.351
where: short stacking energy: -25.689
Base-Backbone interact. energy: -0.380
local terms energy: -44.983769
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -111.882579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.882579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.882579 (E_RNA)
where:
Base-Base interactions energy: -66.370
where: short stacking energy: -33.069
Base-Backbone interact. energy: -0.151
local terms energy: -45.361437
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -8.061
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: 0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -230.983717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.983717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.983717 (E_RNA)
where:
Base-Base interactions energy: -152.896
where: short stacking energy: -74.058
Base-Backbone interact. energy: -0.164
local terms energy: -77.923894
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.644
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: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -229.217939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.217939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.217939 (E_RNA)
where:
Base-Base interactions energy: -147.787
where: short stacking energy: -73.215
Base-Backbone interact. energy: -0.349
local terms energy: -81.082298
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -225.537346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.537346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.537346 (E_RNA)
where:
Base-Base interactions energy: -146.471
where: short stacking energy: -64.573
Base-Backbone interact. energy: -0.085
local terms energy: -78.981220
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -194.009203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.009203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.009203 (E_RNA)
where:
Base-Base interactions energy: -121.489
where: short stacking energy: -61.042
Base-Backbone interact. energy: -0.081
local terms energy: -72.438480
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -5.922
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: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -201.362742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.362742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.362742 (E_RNA)
where:
Base-Base interactions energy: -129.099
where: short stacking energy: -46.737
Base-Backbone interact. energy: -0.720
local terms energy: -71.543187
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -179.639117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.639117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.639117 (E_RNA)
where:
Base-Base interactions energy: -117.410
where: short stacking energy: -52.253
Base-Backbone interact. energy: -1.267
local terms energy: -60.962843
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -2.749
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -108.015200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.015200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.015200 (E_RNA)
where:
Base-Base interactions energy: -53.746
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.257
local terms energy: -54.011910
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -6.224
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: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -101.211370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.211370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.211370 (E_RNA)
where:
Base-Base interactions energy: -37.852
where: short stacking energy: -36.851
Base-Backbone interact. energy: -0.109
local terms energy: -63.250146
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -9.094
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: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -86.725530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.725530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.725530 (E_RNA)
where:
Base-Base interactions energy: -38.629
where: short stacking energy: -38.629
Base-Backbone interact. energy: -0.464
local terms energy: -47.632707
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -2.773
tors. eta vs tors. theta energy: -8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -89.799815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.799815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.799815 (E_RNA)
where:
Base-Base interactions energy: -45.758
where: short stacking energy: -21.616
Base-Backbone interact. energy: -0.767
local terms energy: -43.274021
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: 2.041
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: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -231.197022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.197022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.197022 (E_RNA)
where:
Base-Base interactions energy: -147.794
where: short stacking energy: -70.429
Base-Backbone interact. energy: 0.195
local terms energy: -83.597765
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -230.134975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.134975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.134975 (E_RNA)
where:
Base-Base interactions energy: -155.955
where: short stacking energy: -75.460
Base-Backbone interact. energy: -0.721
local terms energy: -73.458123
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.543
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: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -224.147466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.147466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.147466 (E_RNA)
where:
Base-Base interactions energy: -149.271
where: short stacking energy: -78.734
Base-Backbone interact. energy: -0.019
local terms energy: -74.857352
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -22.449
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: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -191.090649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.090649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.090649 (E_RNA)
where:
Base-Base interactions energy: -123.230
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.719
local terms energy: -67.142097
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -192.125983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.125983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.125983 (E_RNA)
where:
Base-Base interactions energy: -122.886
where: short stacking energy: -65.321
Base-Backbone interact. energy: -0.001
local terms energy: -69.239773
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -21.518
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: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -205.163257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.163257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.163257 (E_RNA)
where:
Base-Base interactions energy: -136.679
where: short stacking energy: -68.355
Base-Backbone interact. energy: -0.478
local terms energy: -68.005838
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -6.715
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -18.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -93.768176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.768176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.768176 (E_RNA)
where:
Base-Base interactions energy: -28.988
where: short stacking energy: -28.988
Base-Backbone interact. energy: -0.088
local terms energy: -64.691954
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -6.291
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: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -111.520897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.520897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.520897 (E_RNA)
where:
Base-Base interactions energy: -65.989
where: short stacking energy: -31.016
Base-Backbone interact. energy: 0.177
local terms energy: -45.708937
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: 1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -85.363915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.363915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.363915 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -30.571
Base-Backbone interact. energy: -0.073
local terms energy: -48.791697
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -5.455
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: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -79.972057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.972057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.972057 (E_RNA)
where:
Base-Base interactions energy: -21.556
where: short stacking energy: -21.556
Base-Backbone interact. energy: -0.061
local terms energy: -58.355191
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -5.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -231.089269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.089269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.089269 (E_RNA)
where:
Base-Base interactions energy: -156.606
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.647
local terms energy: -73.836191
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -7.297
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: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -230.588658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.588658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.588658 (E_RNA)
where:
Base-Base interactions energy: -155.280
where: short stacking energy: -74.323
Base-Backbone interact. energy: -0.144
local terms energy: -75.164811
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -10.568
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: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -219.336740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.336740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.336740 (E_RNA)
where:
Base-Base interactions energy: -143.006
where: short stacking energy: -75.902
Base-Backbone interact. energy: -0.125
local terms energy: -76.205515
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -198.338640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.338640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.338640 (E_RNA)
where:
Base-Base interactions energy: -123.085
where: short stacking energy: -59.602
Base-Backbone interact. energy: -0.034
local terms energy: -75.219537
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.222
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: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -188.949148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.949148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.949148 (E_RNA)
where:
Base-Base interactions energy: -124.820
where: short stacking energy: -49.180
Base-Backbone interact. energy: -0.564
local terms energy: -63.564637
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -10.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -193.791097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.791097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.791097 (E_RNA)
where:
Base-Base interactions energy: -131.050
where: short stacking energy: -59.409
Base-Backbone interact. energy: -0.993
local terms energy: -61.748111
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -90.084086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.084086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.084086 (E_RNA)
where:
Base-Base interactions energy: -34.634
where: short stacking energy: -34.634
Base-Backbone interact. energy: -0.196
local terms energy: -55.254712
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -89.759663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.759663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.759663 (E_RNA)
where:
Base-Base interactions energy: -29.629
where: short stacking energy: -30.629
Base-Backbone interact. energy: -0.162
local terms energy: -59.969100
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -7.281
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: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -81.206403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.206403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.206403 (E_RNA)
where:
Base-Base interactions energy: -22.523
where: short stacking energy: -20.839
Base-Backbone interact. energy: -0.265
local terms energy: -58.419066
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -71.632200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.632200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.632200 (E_RNA)
where:
Base-Base interactions energy: -35.250
where: short stacking energy: -24.728
Base-Backbone interact. energy: -0.268
local terms energy: -36.114529
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -5.375
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: 4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -228.841633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.841633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.841633 (E_RNA)
where:
Base-Base interactions energy: -156.158
where: short stacking energy: -76.847
Base-Backbone interact. energy: -0.640
local terms energy: -72.043540
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -21.238
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: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -232.874987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.874987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.874987 (E_RNA)
where:
Base-Base interactions energy: -156.368
where: short stacking energy: -78.257
Base-Backbone interact. energy: -0.000
local terms energy: -76.506786
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -11.728
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: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -220.198429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.198429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.198429 (E_RNA)
where:
Base-Base interactions energy: -143.973
where: short stacking energy: -70.915
Base-Backbone interact. energy: -0.015
local terms energy: -76.210461
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -187.565419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.565419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.565419 (E_RNA)
where:
Base-Base interactions energy: -128.144
where: short stacking energy: -61.963
Base-Backbone interact. energy: -0.114
local terms energy: -59.307295
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -190.828244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.828244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.828244 (E_RNA)
where:
Base-Base interactions energy: -128.418
where: short stacking energy: -52.457
Base-Backbone interact. energy: 0.617
local terms energy: -63.027745
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -3.308
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: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -206.190990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.190990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.190990 (E_RNA)
where:
Base-Base interactions energy: -137.359
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.537
local terms energy: -68.295163
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -10.190
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: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -93.482513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.482513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.482513 (E_RNA)
where:
Base-Base interactions energy: -38.319
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.060
local terms energy: -55.103481
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -8.841
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -87.236960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.236960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.236960 (E_RNA)
where:
Base-Base interactions energy: -32.854
where: short stacking energy: -30.141
Base-Backbone interact. energy: 0.527
local terms energy: -54.909548
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -5.159
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: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -81.064361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.064361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.064361 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -17.997
Base-Backbone interact. energy: -0.096
local terms energy: -50.362307
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -4.890
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -77.368914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.368914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.368914 (E_RNA)
where:
Base-Base interactions energy: -23.730
where: short stacking energy: -18.327
Base-Backbone interact. energy: 0.197
local terms energy: -53.835996
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: 0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -232.160597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.160597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.160597 (E_RNA)
where:
Base-Base interactions energy: -153.905
where: short stacking energy: -73.915
Base-Backbone interact. energy: -0.001
local terms energy: -78.254426
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -10.930
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: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -224.356968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.356968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.356968 (E_RNA)
where:
Base-Base interactions energy: -154.091
where: short stacking energy: -60.792
Base-Backbone interact. energy: -0.007
local terms energy: -70.258500
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -217.709994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.709994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.709994 (E_RNA)
where:
Base-Base interactions energy: -147.469
where: short stacking energy: -73.003
Base-Backbone interact. energy: 0.461
local terms energy: -70.702854
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -19.605
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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -190.402507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.402507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.402507 (E_RNA)
where:
Base-Base interactions energy: -122.472
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.021
local terms energy: -67.908910
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -176.099986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.099986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.099986 (E_RNA)
where:
Base-Base interactions energy: -121.464
where: short stacking energy: -52.586
Base-Backbone interact. energy: -0.032
local terms energy: -54.603828
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -4.932
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: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -203.409152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.409152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.409152 (E_RNA)
where:
Base-Base interactions energy: -128.080
where: short stacking energy: -59.475
Base-Backbone interact. energy: -1.334
local terms energy: -73.995135
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -94.742171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.742171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.742171 (E_RNA)
where:
Base-Base interactions energy: -32.597
where: short stacking energy: -33.397
Base-Backbone interact. energy: -0.158
local terms energy: -61.987431
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -83.176849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.176849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.176849 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -27.507
Base-Backbone interact. energy: -0.070
local terms energy: -48.611066
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -1.631
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: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -84.643494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.643494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.643494 (E_RNA)
where:
Base-Base interactions energy: -26.072
where: short stacking energy: -21.059
Base-Backbone interact. energy: -0.021
local terms energy: -58.550052
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -80.543761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.543761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.543761 (E_RNA)
where:
Base-Base interactions energy: -30.094
where: short stacking energy: -27.668
Base-Backbone interact. energy: -0.703
local terms energy: -49.746907
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -229.177805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.177805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.177805 (E_RNA)
where:
Base-Base interactions energy: -155.362
where: short stacking energy: -75.276
Base-Backbone interact. energy: -0.640
local terms energy: -73.175155
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -9.728
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: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -222.503044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.503044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.503044 (E_RNA)
where:
Base-Base interactions energy: -146.063
where: short stacking energy: -67.898
Base-Backbone interact. energy: -0.010
local terms energy: -76.430137
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -213.775430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.775430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.775430 (E_RNA)
where:
Base-Base interactions energy: -147.324
where: short stacking energy: -68.641
Base-Backbone interact. energy: -0.288
local terms energy: -66.163594
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -4.077
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: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -188.882543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.882543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.882543 (E_RNA)
where:
Base-Base interactions energy: -123.388
where: short stacking energy: -65.066
Base-Backbone interact. energy: -0.024
local terms energy: -65.470561
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -187.519010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.519010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.519010 (E_RNA)
where:
Base-Base interactions energy: -126.085
where: short stacking energy: -44.837
Base-Backbone interact. energy: -0.570
local terms energy: -60.863610
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -10.827
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: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -179.401611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.401611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.401611 (E_RNA)
where:
Base-Base interactions energy: -117.323
where: short stacking energy: -61.450
Base-Backbone interact. energy: 0.194
local terms energy: -62.271986
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -88.095874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.095874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.095874 (E_RNA)
where:
Base-Base interactions energy: -35.918
where: short stacking energy: -26.853
Base-Backbone interact. energy: -0.267
local terms energy: -51.910454
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -85.878642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.878642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.878642 (E_RNA)
where:
Base-Base interactions energy: -45.708
where: short stacking energy: -45.708
Base-Backbone interact. energy: -0.004
local terms energy: -40.166891
where:
bonds (distance) C4'-P energy: -4.680
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -5.135
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -80.788920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.788920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.788920 (E_RNA)
where:
Base-Base interactions energy: -31.277
where: short stacking energy: -30.200
Base-Backbone interact. energy: -0.216
local terms energy: -49.295805
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: 0.949
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: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -79.311752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.311752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.311752 (E_RNA)
where:
Base-Base interactions energy: -27.417
where: short stacking energy: -25.482
Base-Backbone interact. energy: -0.124
local terms energy: -51.771144
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -230.833686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.833686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.833686 (E_RNA)
where:
Base-Base interactions energy: -151.817
where: short stacking energy: -71.700
Base-Backbone interact. energy: -0.287
local terms energy: -78.729617
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -230.501722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.501722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.501722 (E_RNA)
where:
Base-Base interactions energy: -155.215
where: short stacking energy: -77.095
Base-Backbone interact. energy: -0.005
local terms energy: -75.281791
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -221.676860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.676860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.676860 (E_RNA)
where:
Base-Base interactions energy: -142.570
where: short stacking energy: -69.744
Base-Backbone interact. energy: -0.001
local terms energy: -79.105626
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -203.599471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.599471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.599471 (E_RNA)
where:
Base-Base interactions energy: -132.410
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.169
local terms energy: -71.020553
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -191.608920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.608920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.608920 (E_RNA)
where:
Base-Base interactions energy: -115.986
where: short stacking energy: -58.624
Base-Backbone interact. energy: -0.066
local terms energy: -75.556473
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -181.907425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.907425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.907425 (E_RNA)
where:
Base-Base interactions energy: -121.345
where: short stacking energy: -50.840
Base-Backbone interact. energy: 1.384
local terms energy: -61.945958
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -8.754
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: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -90.393693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.393693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.393693 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -36.546
Base-Backbone interact. energy: -0.078
local terms energy: -53.770357
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -87.349677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.349677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.349677 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -31.237
Base-Backbone interact. energy: -0.113
local terms energy: -56.000035
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -78.462389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.462389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.462389 (E_RNA)
where:
Base-Base interactions energy: -29.220
where: short stacking energy: -21.766
Base-Backbone interact. energy: -2.180
local terms energy: -47.062506
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -8.897
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: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -74.981832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.981832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.981832 (E_RNA)
where:
Base-Base interactions energy: -30.162
where: short stacking energy: -21.997
Base-Backbone interact. energy: 0.252
local terms energy: -45.071316
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -0.392
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: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -228.558911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.558911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.558911 (E_RNA)
where:
Base-Base interactions energy: -148.819
where: short stacking energy: -73.584
Base-Backbone interact. energy: -0.678
local terms energy: -79.062269
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -11.885
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: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -225.429008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.429008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.429008 (E_RNA)
where:
Base-Base interactions energy: -148.173
where: short stacking energy: -72.445
Base-Backbone interact. energy: -0.298
local terms energy: -76.958239
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -9.242
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: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -218.549013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.549013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.549013 (E_RNA)
where:
Base-Base interactions energy: -147.969
where: short stacking energy: -74.758
Base-Backbone interact. energy: -0.641
local terms energy: -69.939334
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -12.676
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: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -211.690030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.690030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.690030 (E_RNA)
where:
Base-Base interactions energy: -140.909
where: short stacking energy: -64.226
Base-Backbone interact. energy: -0.629
local terms energy: -70.151729
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -189.397358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.397358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.397358 (E_RNA)
where:
Base-Base interactions energy: -119.992
where: short stacking energy: -60.468
Base-Backbone interact. energy: -0.218
local terms energy: -69.187771
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -8.094
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: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -176.377813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.377813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.377813 (E_RNA)
where:
Base-Base interactions energy: -116.497
where: short stacking energy: -53.257
Base-Backbone interact. energy: -0.699
local terms energy: -59.181893
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -3.768
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -93.154763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.154763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.154763 (E_RNA)
where:
Base-Base interactions energy: -42.648
where: short stacking energy: -28.003
Base-Backbone interact. energy: -0.407
local terms energy: -50.100172
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -84.804662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.804662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.804662 (E_RNA)
where:
Base-Base interactions energy: -30.928
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.149
local terms energy: -53.727617
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -79.749670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.749670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.749670 (E_RNA)
where:
Base-Base interactions energy: -25.411
where: short stacking energy: -22.432
Base-Backbone interact. energy: -0.077
local terms energy: -54.261540
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -76.275493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.275493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.275493 (E_RNA)
where:
Base-Base interactions energy: -25.253
where: short stacking energy: -25.253
Base-Backbone interact. energy: -0.165
local terms energy: -50.858101
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -3.400
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: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -224.627717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.627717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.627717 (E_RNA)
where:
Base-Base interactions energy: -146.161
where: short stacking energy: -76.139
Base-Backbone interact. energy: -0.034
local terms energy: -78.432355
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -22.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -221.337026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.337026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.337026 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -59.711
Base-Backbone interact. energy: -0.026
local terms energy: -79.603448
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -11.313
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: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -203.988128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.988128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.988128 (E_RNA)
where:
Base-Base interactions energy: -133.230
where: short stacking energy: -69.225
Base-Backbone interact. energy: -0.100
local terms energy: -70.658880
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -11.559
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: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -211.649376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.649376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.649376 (E_RNA)
where:
Base-Base interactions energy: -143.368
where: short stacking energy: -64.485
Base-Backbone interact. energy: -0.446
local terms energy: -67.835748
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -185.074350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.074350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.074350 (E_RNA)
where:
Base-Base interactions energy: -114.478
where: short stacking energy: -53.615
Base-Backbone interact. energy: -0.828
local terms energy: -69.768648
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -11.663
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: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -181.347674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.347674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.347674 (E_RNA)
where:
Base-Base interactions energy: -117.709
where: short stacking energy: -59.371
Base-Backbone interact. energy: -0.753
local terms energy: -62.885117
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -89.328326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.328326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.328326 (E_RNA)
where:
Base-Base interactions energy: -41.574
where: short stacking energy: -27.937
Base-Backbone interact. energy: 1.959
local terms energy: -49.713666
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -85.914652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.914652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.914652 (E_RNA)
where:
Base-Base interactions energy: -34.801
where: short stacking energy: -22.665
Base-Backbone interact. energy: -0.324
local terms energy: -50.789878
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -84.675011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.675011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.675011 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -21.416
Base-Backbone interact. energy: -0.050
local terms energy: -47.438184
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 0.052
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: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -77.723776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.723776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.723776 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -19.537
Base-Backbone interact. energy: 0.026
local terms energy: -40.263819
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: 4.112
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: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -237.217517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.217517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.217517 (E_RNA)
where:
Base-Base interactions energy: -157.564
where: short stacking energy: -73.821
Base-Backbone interact. energy: -0.002
local terms energy: -79.651157
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -20.355
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: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -222.777524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.777524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.777524 (E_RNA)
where:
Base-Base interactions energy: -144.015
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.007
local terms energy: -78.756136
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -23.660
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: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -215.021413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.021413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.021413 (E_RNA)
where:
Base-Base interactions energy: -143.751
where: short stacking energy: -64.760
Base-Backbone interact. energy: -0.525
local terms energy: -70.745149
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -212.790313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.790313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.790313 (E_RNA)
where:
Base-Base interactions energy: -133.766
where: short stacking energy: -68.397
Base-Backbone interact. energy: -0.031
local terms energy: -78.993368
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -19.144
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: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -181.428990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.428990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.428990 (E_RNA)
where:
Base-Base interactions energy: -117.984
where: short stacking energy: -57.135
Base-Backbone interact. energy: -0.139
local terms energy: -63.305959
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -171.907286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.907286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.907286 (E_RNA)
where:
Base-Base interactions energy: -111.861
where: short stacking energy: -54.348
Base-Backbone interact. energy: 0.396
local terms energy: -60.441984
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -98.388937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.388937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.388937 (E_RNA)
where:
Base-Base interactions energy: -38.812
where: short stacking energy: -38.812
Base-Backbone interact. energy: 0.260
local terms energy: -59.836683
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -92.081137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.081137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.081137 (E_RNA)
where:
Base-Base interactions energy: -38.471
where: short stacking energy: -28.869
Base-Backbone interact. energy: -1.200
local terms energy: -52.409804
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -87.117888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.117888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.117888 (E_RNA)
where:
Base-Base interactions energy: -41.479
where: short stacking energy: -31.087
Base-Backbone interact. energy: -0.258
local terms energy: -45.380697
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -8.002
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -75.436453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.436453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.436453 (E_RNA)
where:
Base-Base interactions energy: -29.037
where: short stacking energy: -20.436
Base-Backbone interact. energy: -0.286
local terms energy: -46.112956
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -8.771
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -230.293729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.293729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.293729 (E_RNA)
where:
Base-Base interactions energy: -148.469
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.002
local terms energy: -81.821875
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -23.143
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: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -217.084399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.084399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.084399 (E_RNA)
where:
Base-Base interactions energy: -154.423
where: short stacking energy: -66.478
Base-Backbone interact. energy: -0.265
local terms energy: -62.396893
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -196.860790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.860790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.860790 (E_RNA)
where:
Base-Base interactions energy: -124.454
where: short stacking energy: -64.359
Base-Backbone interact. energy: -0.122
local terms energy: -72.285008
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -9.344
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: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -184.759181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.759181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.759181 (E_RNA)
where:
Base-Base interactions energy: -116.343
where: short stacking energy: -55.097
Base-Backbone interact. energy: -0.049
local terms energy: -68.367373
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -9.983
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: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -208.820400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.820400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.820400 (E_RNA)
where:
Base-Base interactions energy: -138.611
where: short stacking energy: -66.716
Base-Backbone interact. energy: -0.037
local terms energy: -70.172500
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -9.473
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: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -177.300388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.300388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.300388 (E_RNA)
where:
Base-Base interactions energy: -122.374
where: short stacking energy: -54.389
Base-Backbone interact. energy: -1.629
local terms energy: -53.297966
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -10.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -90.272796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.272796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.272796 (E_RNA)
where:
Base-Base interactions energy: -45.282
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.595
local terms energy: -44.395226
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -93.900825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.900825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.900825 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -25.977
Base-Backbone interact. energy: -0.022
local terms energy: -54.341376
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -79.174599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.174599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.174599 (E_RNA)
where:
Base-Base interactions energy: -32.146
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.285
local terms energy: -46.742781
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -4.847
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: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -84.805693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805693 (E_RNA)
where:
Base-Base interactions energy: -35.851
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.019
local terms energy: -48.935419
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -8.407
flat angles P-C4'-P energy: -3.025
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -229.438074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.438074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.438074 (E_RNA)
where:
Base-Base interactions energy: -148.274
where: short stacking energy: -69.033
Base-Backbone interact. energy: -0.001
local terms energy: -81.162421
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -19.990
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: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -212.574059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.574059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.574059 (E_RNA)
where:
Base-Base interactions energy: -137.685
where: short stacking energy: -64.265
Base-Backbone interact. energy: -0.593
local terms energy: -74.295986
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -199.424234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.424234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.424234 (E_RNA)
where:
Base-Base interactions energy: -121.827
where: short stacking energy: -64.823
Base-Backbone interact. energy: -0.274
local terms energy: -77.323243
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -202.105658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.105658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.105658 (E_RNA)
where:
Base-Base interactions energy: -135.920
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.217
local terms energy: -65.968617
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -7.267
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: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -209.274581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.274581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.274581 (E_RNA)
where:
Base-Base interactions energy: -137.833
where: short stacking energy: -68.274
Base-Backbone interact. energy: -0.074
local terms energy: -71.367455
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -176.449769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.449769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.449769 (E_RNA)
where:
Base-Base interactions energy: -121.282
where: short stacking energy: -52.193
Base-Backbone interact. energy: -0.213
local terms energy: -54.954338
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -8.456
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -9.217
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: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -89.960667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.960667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.960667 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -34.289
Base-Backbone interact. energy: -0.037
local terms energy: -55.634620
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -6.280
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: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -77.881895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.881895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.881895 (E_RNA)
where:
Base-Base interactions energy: -28.774
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.268
local terms energy: -48.839781
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -83.898975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.898975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.898975 (E_RNA)
where:
Base-Base interactions energy: -25.676
where: short stacking energy: -23.112
Base-Backbone interact. energy: -0.106
local terms energy: -58.117314
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: 0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -88.892020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.892020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.892020 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -35.062
Base-Backbone interact. energy: -0.161
local terms energy: -53.669072
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -226.135940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.135940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.135940 (E_RNA)
where:
Base-Base interactions energy: -151.742
where: short stacking energy: -73.729
Base-Backbone interact. energy: -0.293
local terms energy: -74.101770
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -21.757
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: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -215.238334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.238334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.238334 (E_RNA)
where:
Base-Base interactions energy: -139.922
where: short stacking energy: -61.428
Base-Backbone interact. energy: -0.680
local terms energy: -74.635810
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -13.531
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: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -193.079497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.079497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.079497 (E_RNA)
where:
Base-Base interactions energy: -120.992
where: short stacking energy: -62.566
Base-Backbone interact. energy: -0.099
local terms energy: -71.987981
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -217.512602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.512602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.512602 (E_RNA)
where:
Base-Base interactions energy: -150.162
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.345
local terms energy: -67.005018
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -16.328
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: 389
Temperature: 1.100000
Total energy: -210.897912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.897912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.897912 (E_RNA)
where:
Base-Base interactions energy: -137.419
where: short stacking energy: -63.389
Base-Backbone interact. energy: -0.415
local terms energy: -73.063916
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -181.140573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.140573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.140573 (E_RNA)
where:
Base-Base interactions energy: -117.720
where: short stacking energy: -55.661
Base-Backbone interact. energy: -0.021
local terms energy: -63.399674
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -95.609620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.609620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.609620 (E_RNA)
where:
Base-Base interactions energy: -37.923
where: short stacking energy: -31.969
Base-Backbone interact. energy: -0.118
local terms energy: -57.568410
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -97.691538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.691538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.691538 (E_RNA)
where:
Base-Base interactions energy: -40.306
where: short stacking energy: -35.515
Base-Backbone interact. energy: -0.003
local terms energy: -57.382945
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -78.544747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.544747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.544747 (E_RNA)
where:
Base-Base interactions energy: -21.224
where: short stacking energy: -21.224
Base-Backbone interact. energy: -0.042
local terms energy: -57.279077
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -80.585634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.585634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.585634 (E_RNA)
where:
Base-Base interactions energy: -36.459
where: short stacking energy: -34.006
Base-Backbone interact. energy: -0.397
local terms energy: -43.729841
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -1.066
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -215.697324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.697324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.697324 (E_RNA)
where:
Base-Base interactions energy: -138.716
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.304
local terms energy: -76.676493
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -12.488
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: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -227.629842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.629842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.629842 (E_RNA)
where:
Base-Base interactions energy: -148.065
where: short stacking energy: -73.351
Base-Backbone interact. energy: -0.040
local terms energy: -79.525577
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -221.450694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.450694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.450694 (E_RNA)
where:
Base-Base interactions energy: -139.381
where: short stacking energy: -67.395
Base-Backbone interact. energy: -0.113
local terms energy: -81.956969
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -12.814
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: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -185.673834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.673834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.673834 (E_RNA)
where:
Base-Base interactions energy: -117.056
where: short stacking energy: -49.428
Base-Backbone interact. energy: -0.161
local terms energy: -68.456478
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -8.529
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: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -184.490786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.490786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.490786 (E_RNA)
where:
Base-Base interactions energy: -123.991
where: short stacking energy: -60.023
Base-Backbone interact. energy: 1.380
local terms energy: -61.879862
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: 0.711
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: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -205.958735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.958735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.958735 (E_RNA)
where:
Base-Base interactions energy: -137.891
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.008
local terms energy: -68.059603
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -89.216297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.216297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.216297 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -26.141
Base-Backbone interact. energy: -0.280
local terms energy: -58.838394
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -7.687
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: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -96.073388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.073388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.073388 (E_RNA)
where:
Base-Base interactions energy: -46.690
where: short stacking energy: -27.695
Base-Backbone interact. energy: -0.026
local terms energy: -49.357283
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -5.999
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -81.952661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.952661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.952661 (E_RNA)
where:
Base-Base interactions energy: -31.143
where: short stacking energy: -30.824
Base-Backbone interact. energy: -0.027
local terms energy: -50.782983
where:
bonds (distance) C4'-P energy: -4.668
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -77.649990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.649990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.649990 (E_RNA)
where:
Base-Base interactions energy: -28.095
where: short stacking energy: -20.320
Base-Backbone interact. energy: 0.487
local terms energy: -50.042114
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -213.601479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.601479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.601479 (E_RNA)
where:
Base-Base interactions energy: -147.633
where: short stacking energy: -55.583
Base-Backbone interact. energy: -1.107
local terms energy: -64.860611
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -11.260
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: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -224.223332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.223332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.223332 (E_RNA)
where:
Base-Base interactions energy: -148.446
where: short stacking energy: -67.005
Base-Backbone interact. energy: -0.781
local terms energy: -74.996587
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -214.136887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.136887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.136887 (E_RNA)
where:
Base-Base interactions energy: -135.476
where: short stacking energy: -74.532
Base-Backbone interact. energy: -0.556
local terms energy: -78.104469
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -19.007
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: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -187.128643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.128643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.128643 (E_RNA)
where:
Base-Base interactions energy: -121.195
where: short stacking energy: -57.805
Base-Backbone interact. energy: 0.010
local terms energy: -65.943903
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -7.259
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: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -180.696568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.696568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.696568 (E_RNA)
where:
Base-Base interactions energy: -123.001
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.125
local terms energy: -57.570189
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -17.345
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: 391
Temperature: 1.150000
Total energy: -209.673651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.673651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.673651 (E_RNA)
where:
Base-Base interactions energy: -133.235
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.053
local terms energy: -76.385588
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -87.184080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.184080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.184080 (E_RNA)
where:
Base-Base interactions energy: -33.652
where: short stacking energy: -33.652
Base-Backbone interact. energy: -0.016
local terms energy: -53.516079
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -7.279
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -9.825
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: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -94.588451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.588451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.588451 (E_RNA)
where:
Base-Base interactions energy: -40.565
where: short stacking energy: -27.426
Base-Backbone interact. energy: -1.032
local terms energy: -52.991896
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: 0.811
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: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -82.127095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.127095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.127095 (E_RNA)
where:
Base-Base interactions energy: -39.335
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.093
local terms energy: -42.699425
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -1.093
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: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -74.143555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.143555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.143555 (E_RNA)
where:
Base-Base interactions energy: -27.426
where: short stacking energy: -23.684
Base-Backbone interact. energy: -0.069
local terms energy: -46.648815
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -1.613
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: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -233.766711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.766711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.766711 (E_RNA)
where:
Base-Base interactions energy: -151.983
where: short stacking energy: -76.641
Base-Backbone interact. energy: 0.877
local terms energy: -82.660786
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -10.661
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: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -219.820195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.820195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.820195 (E_RNA)
where:
Base-Base interactions energy: -147.168
where: short stacking energy: -64.306
Base-Backbone interact. energy: -0.402
local terms energy: -72.250260
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -208.277587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.277587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.277587 (E_RNA)
where:
Base-Base interactions energy: -134.406
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.037
local terms energy: -73.833933
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -208.962816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.962816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.962816 (E_RNA)
where:
Base-Base interactions energy: -138.802
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.959
local terms energy: -69.202282
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -12.159
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: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -198.459511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.459511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.459511 (E_RNA)
where:
Base-Base interactions energy: -127.909
where: short stacking energy: -56.819
Base-Backbone interact. energy: -0.011
local terms energy: -70.539571
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -192.717748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.717748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.717748 (E_RNA)
where:
Base-Base interactions energy: -132.209
where: short stacking energy: -60.284
Base-Backbone interact. energy: 0.979
local terms energy: -61.487525
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -7.563
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: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -90.102364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.102364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.102364 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.168
local terms energy: -50.169221
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -90.778555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.778555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.778555 (E_RNA)
where:
Base-Base interactions energy: -39.866
where: short stacking energy: -39.928
Base-Backbone interact. energy: 1.810
local terms energy: -52.722096
where:
bonds (distance) C4'-P energy: -6.217
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -4.999
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: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -86.149950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.149950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.149950 (E_RNA)
where:
Base-Base interactions energy: -36.673
where: short stacking energy: -36.673
Base-Backbone interact. energy: -0.218
local terms energy: -49.259305
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -84.858528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.858528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.858528 (E_RNA)
where:
Base-Base interactions energy: -26.777
where: short stacking energy: -26.585
Base-Backbone interact. energy: -0.788
local terms energy: -57.293731
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -10.921
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: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -230.219810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.219810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.219810 (E_RNA)
where:
Base-Base interactions energy: -151.486
where: short stacking energy: -77.699
Base-Backbone interact. energy: -0.005
local terms energy: -78.728923
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -201.698035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.698035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.698035 (E_RNA)
where:
Base-Base interactions energy: -138.776
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.001
local terms energy: -62.920341
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -6.419
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: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -209.669173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.669173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.669173 (E_RNA)
where:
Base-Base interactions energy: -141.477
where: short stacking energy: -58.885
Base-Backbone interact. energy: -0.157
local terms energy: -68.035673
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -10.665
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: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -207.417886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.417886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.417886 (E_RNA)
where:
Base-Base interactions energy: -136.773
where: short stacking energy: -65.925
Base-Backbone interact. energy: 1.071
local terms energy: -71.715470
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -17.539
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: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -200.649652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.649652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.649652 (E_RNA)
where:
Base-Base interactions energy: -137.389
where: short stacking energy: -61.974
Base-Backbone interact. energy: -0.633
local terms energy: -62.628277
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -5.408
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -11.071
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: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -206.240249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.240249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.240249 (E_RNA)
where:
Base-Base interactions energy: -135.924
where: short stacking energy: -67.095
Base-Backbone interact. energy: -0.033
local terms energy: -70.283371
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -8.933
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: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -108.596110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.596110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.596110 (E_RNA)
where:
Base-Base interactions energy: -60.649
where: short stacking energy: -51.748
Base-Backbone interact. energy: -0.001
local terms energy: -47.945292
where:
bonds (distance) C4'-P energy: -7.421
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -7.448
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: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -101.855652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.855652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.855652 (E_RNA)
where:
Base-Base interactions energy: -47.976
where: short stacking energy: -38.306
Base-Backbone interact. energy: -0.292
local terms energy: -53.587180
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -85.404131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404131 (E_RNA)
where:
Base-Base interactions energy: -25.524
where: short stacking energy: -25.276
Base-Backbone interact. energy: -0.252
local terms energy: -59.627962
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -81.592826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.592826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.592826 (E_RNA)
where:
Base-Base interactions energy: -23.177
where: short stacking energy: -23.177
Base-Backbone interact. energy: -0.374
local terms energy: -58.041840
where:
bonds (distance) C4'-P energy: -10.089
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -5.050
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: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -227.672020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.672020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.672020 (E_RNA)
where:
Base-Base interactions energy: -145.726
where: short stacking energy: -75.580
Base-Backbone interact. energy: -0.000
local terms energy: -81.945847
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -210.064845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.064845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.064845 (E_RNA)
where:
Base-Base interactions energy: -133.453
where: short stacking energy: -56.660
Base-Backbone interact. energy: -0.004
local terms energy: -76.607962
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -208.980528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.980528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.980528 (E_RNA)
where:
Base-Base interactions energy: -135.462
where: short stacking energy: -66.572
Base-Backbone interact. energy: 0.261
local terms energy: -73.779512
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -10.176
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: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -198.432545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.432545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.432545 (E_RNA)
where:
Base-Base interactions energy: -123.249
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.831
local terms energy: -74.352544
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -9.051
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: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -189.146432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.146432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.146432 (E_RNA)
where:
Base-Base interactions energy: -121.528
where: short stacking energy: -58.143
Base-Backbone interact. energy: -0.146
local terms energy: -67.471878
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -11.270
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: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -183.737806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.737806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.737806 (E_RNA)
where:
Base-Base interactions energy: -118.231
where: short stacking energy: -60.038
Base-Backbone interact. energy: -0.497
local terms energy: -65.010054
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -12.389
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: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -100.209715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.209715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.209715 (E_RNA)
where:
Base-Base interactions energy: -48.472
where: short stacking energy: -44.477
Base-Backbone interact. energy: -0.185
local terms energy: -51.552605
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -81.164955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.164955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.164955 (E_RNA)
where:
Base-Base interactions energy: -30.248
where: short stacking energy: -28.542
Base-Backbone interact. energy: -0.051
local terms energy: -50.865786
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: 0.370
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: 394
Temperature: 1.300000
Total energy: -123.445646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.445646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.445646 (E_RNA)
where:
Base-Base interactions energy: -65.299
where: short stacking energy: -26.711
Base-Backbone interact. energy: -0.134
local terms energy: -58.012235
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -12.536
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: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -67.555823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.555823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.555823 (E_RNA)
where:
Base-Base interactions energy: -19.865
where: short stacking energy: -14.132
Base-Backbone interact. energy: -0.214
local terms energy: -47.477001
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -11.888
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: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -226.697201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.697201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.697201 (E_RNA)
where:
Base-Base interactions energy: -147.846
where: short stacking energy: -74.772
Base-Backbone interact. energy: 0.787
local terms energy: -79.638324
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -220.863500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.863500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.863500 (E_RNA)
where:
Base-Base interactions energy: -151.934
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.345
local terms energy: -68.584969
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -195.529695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.529695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.529695 (E_RNA)
where:
Base-Base interactions energy: -126.495
where: short stacking energy: -64.562
Base-Backbone interact. energy: -0.099
local terms energy: -68.935524
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -17.557
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: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -201.435651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.435651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.435651 (E_RNA)
where:
Base-Base interactions energy: -132.422
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.864
local terms energy: -68.149990
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -9.495
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: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -208.639004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.639004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.639004 (E_RNA)
where:
Base-Base interactions energy: -134.392
where: short stacking energy: -62.818
Base-Backbone interact. energy: -0.137
local terms energy: -74.110390
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -11.490
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: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -150.502173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.502173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.502173 (E_RNA)
where:
Base-Base interactions energy: -93.264
where: short stacking energy: -42.485
Base-Backbone interact. energy: -0.158
local terms energy: -57.079303
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -178.974647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.974647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.974647 (E_RNA)
where:
Base-Base interactions energy: -112.914
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.122
local terms energy: -65.938326
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -122.091966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.091966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.091966 (E_RNA)
where:
Base-Base interactions energy: -66.362
where: short stacking energy: -30.182
Base-Backbone interact. energy: -0.357
local terms energy: -55.373487
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -84.348992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.348992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.348992 (E_RNA)
where:
Base-Base interactions energy: -35.457
where: short stacking energy: -22.684
Base-Backbone interact. energy: -0.180
local terms energy: -48.711839
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -7.812
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: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -79.028173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.028173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.028173 (E_RNA)
where:
Base-Base interactions energy: -33.982
where: short stacking energy: -27.882
Base-Backbone interact. energy: -0.612
local terms energy: -44.434528
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -0.854
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: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -222.699242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.699242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.699242 (E_RNA)
where:
Base-Base interactions energy: -157.249
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.714
local terms energy: -64.736150
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -9.811
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: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -221.150354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.150354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.150354 (E_RNA)
where:
Base-Base interactions energy: -146.898
where: short stacking energy: -70.360
Base-Backbone interact. energy: -0.042
local terms energy: -74.210585
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -21.596
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: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -196.560968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.560968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.560968 (E_RNA)
where:
Base-Base interactions energy: -124.552
where: short stacking energy: -64.786
Base-Backbone interact. energy: 0.021
local terms energy: -72.029577
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -20.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -197.767073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.767073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.767073 (E_RNA)
where:
Base-Base interactions energy: -132.167
where: short stacking energy: -59.037
Base-Backbone interact. energy: -0.769
local terms energy: -64.831649
where:
bonds (distance) C4'-P energy: -8.229
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.530
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: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -216.228431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.228431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.228431 (E_RNA)
where:
Base-Base interactions energy: -150.097
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.074
local terms energy: -66.057943
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -161.527644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.527644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.527644 (E_RNA)
where:
Base-Base interactions energy: -101.289
where: short stacking energy: -48.261
Base-Backbone interact. energy: -0.546
local terms energy: -59.692764
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -121.901520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.901520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.901520 (E_RNA)
where:
Base-Base interactions energy: -68.036
where: short stacking energy: -37.750
Base-Backbone interact. energy: -0.755
local terms energy: -53.110831
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -6.564
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: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -187.563635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.563635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.563635 (E_RNA)
where:
Base-Base interactions energy: -128.134
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.204
local terms energy: -59.225434
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -100.270566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.270566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.270566 (E_RNA)
where:
Base-Base interactions energy: -48.276
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.406
local terms energy: -51.588132
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -78.978297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.978297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.978297 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -25.552
Base-Backbone interact. energy: -0.145
local terms energy: -41.740617
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -2.520
tors. eta vs tors. theta energy: 2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -225.737960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.737960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.737960 (E_RNA)
where:
Base-Base interactions energy: -157.727
where: short stacking energy: -69.368
Base-Backbone interact. energy: -0.975
local terms energy: -67.035936
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -12.095
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: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -222.885364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.885364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.885364 (E_RNA)
where:
Base-Base interactions energy: -145.520
where: short stacking energy: -74.064
Base-Backbone interact. energy: -0.002
local terms energy: -77.362595
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -196.863609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.863609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.863609 (E_RNA)
where:
Base-Base interactions energy: -125.314
where: short stacking energy: -64.293
Base-Backbone interact. energy: -0.132
local terms energy: -71.417006
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -217.882525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.882525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.882525 (E_RNA)
where:
Base-Base interactions energy: -144.196
where: short stacking energy: -73.869
Base-Backbone interact. energy: -0.041
local terms energy: -73.644651
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -189.896726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.896726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.896726 (E_RNA)
where:
Base-Base interactions energy: -119.317
where: short stacking energy: -63.766
Base-Backbone interact. energy: -0.001
local terms energy: -70.578096
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -9.273
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: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -186.780931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.780931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.780931 (E_RNA)
where:
Base-Base interactions energy: -123.672
where: short stacking energy: -65.336
Base-Backbone interact. energy: 0.113
local terms energy: -63.221948
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -7.407
flat angles P-C4'-P energy: -11.809
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: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -90.443396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.443396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.443396 (E_RNA)
where:
Base-Base interactions energy: -40.610
where: short stacking energy: -33.765
Base-Backbone interact. energy: -0.149
local terms energy: -49.684763
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -4.266
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: 397
Temperature: 1.250000
Total energy: -192.105357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.105357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.105357 (E_RNA)
where:
Base-Base interactions energy: -122.388
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.015
local terms energy: -69.703055
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -93.349464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.349464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.349464 (E_RNA)
where:
Base-Base interactions energy: -53.290
where: short stacking energy: -14.375
Base-Backbone interact. energy: -0.190
local terms energy: -39.869752
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: 1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -82.806160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.806160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.806160 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -27.911
Base-Backbone interact. energy: -0.200
local terms energy: -47.405545
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -230.949296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.949296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.949296 (E_RNA)
where:
Base-Base interactions energy: -147.227
where: short stacking energy: -74.207
Base-Backbone interact. energy: -0.524
local terms energy: -83.198199
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -23.215
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: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -222.883341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.883341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.883341 (E_RNA)
where:
Base-Base interactions energy: -160.492
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.318
local terms energy: -62.073622
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -226.214979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.214979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.214979 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -72.786
Base-Backbone interact. energy: 0.646
local terms energy: -77.465344
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -23.787
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: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -197.018345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.018345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.018345 (E_RNA)
where:
Base-Base interactions energy: -129.969
where: short stacking energy: -62.570
Base-Backbone interact. energy: -0.128
local terms energy: -66.921164
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -195.836881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.836881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.836881 (E_RNA)
where:
Base-Base interactions energy: -131.082
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.113
local terms energy: -64.641680
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -9.564
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: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -157.804954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.804954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.804954 (E_RNA)
where:
Base-Base interactions energy: -90.746
where: short stacking energy: -50.918
Base-Backbone interact. energy: -0.209
local terms energy: -66.850026
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -173.290016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.290016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.290016 (E_RNA)
where:
Base-Base interactions energy: -105.518
where: short stacking energy: -50.940
Base-Backbone interact. energy: -0.046
local terms energy: -67.725772
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -13.369
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: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -77.584922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.584922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.584922 (E_RNA)
where:
Base-Base interactions energy: -26.642
where: short stacking energy: -26.642
Base-Backbone interact. energy: -0.312
local terms energy: -50.630383
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -83.320071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.320071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.320071 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -31.182
Base-Backbone interact. energy: -0.135
local terms energy: -45.794191
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -69.982101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.982101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.982101 (E_RNA)
where:
Base-Base interactions energy: -23.993
where: short stacking energy: -18.751
Base-Backbone interact. energy: -0.154
local terms energy: -45.835213
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: 2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -231.539677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.539677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.539677 (E_RNA)
where:
Base-Base interactions energy: -157.384
where: short stacking energy: -73.480
Base-Backbone interact. energy: -0.024
local terms energy: -74.131709
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -9.444
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: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -214.381230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.381230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.381230 (E_RNA)
where:
Base-Base interactions energy: -134.666
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.001
local terms energy: -79.713917
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -21.808
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: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -227.478834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.478834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.478834 (E_RNA)
where:
Base-Base interactions energy: -163.612
where: short stacking energy: -71.062
Base-Backbone interact. energy: -0.537
local terms energy: -63.329154
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -216.358846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.358846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.358846 (E_RNA)
where:
Base-Base interactions energy: -142.374
where: short stacking energy: -67.382
Base-Backbone interact. energy: -0.002
local terms energy: -73.983265
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -11.585
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: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -184.434241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.434241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.434241 (E_RNA)
where:
Base-Base interactions energy: -108.061
where: short stacking energy: -47.661
Base-Backbone interact. energy: 0.314
local terms energy: -76.687001
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -184.040305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.040305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.040305 (E_RNA)
where:
Base-Base interactions energy: -118.467
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.093
local terms energy: -65.479836
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -1.966
tors. eta vs tors. theta energy: -16.273
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: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -168.049502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.049502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.049502 (E_RNA)
where:
Base-Base interactions energy: -105.852
where: short stacking energy: -49.959
Base-Backbone interact. energy: -0.567
local terms energy: -61.630397
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -7.937
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: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -84.311772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.311772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.311772 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -28.220
Base-Backbone interact. energy: -0.089
local terms energy: -55.659107
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -3.386
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: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -78.163584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.163584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.163584 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -24.873
Base-Backbone interact. energy: -0.020
local terms energy: -45.237745
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -1.660
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: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -82.228624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.228624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.228624 (E_RNA)
where:
Base-Base interactions energy: -38.030
where: short stacking energy: -29.326
Base-Backbone interact. energy: -0.323
local terms energy: -43.875991
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -7.570
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: 1.253
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: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -230.793113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.793113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.793113 (E_RNA)
where:
Base-Base interactions energy: -150.026
where: short stacking energy: -67.960
Base-Backbone interact. energy: -0.002
local terms energy: -80.765593
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -223.435583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.435583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.435583 (E_RNA)
where:
Base-Base interactions energy: -147.529
where: short stacking energy: -71.557
Base-Backbone interact. energy: -0.100
local terms energy: -75.805828
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -213.832824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.832824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.832824 (E_RNA)
where:
Base-Base interactions energy: -142.238
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.470
local terms energy: -71.125015
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -9.761
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: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -211.694037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.694037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.694037 (E_RNA)
where:
Base-Base interactions energy: -138.268
where: short stacking energy: -66.986
Base-Backbone interact. energy: -0.311
local terms energy: -73.114537
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -22.871
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: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -186.918459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.918459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.918459 (E_RNA)
where:
Base-Base interactions energy: -121.408
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.105
local terms energy: -65.404648
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -184.850415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.850415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.850415 (E_RNA)
where:
Base-Base interactions energy: -122.641
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.438
local terms energy: -61.771217
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -181.327464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.327464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.327464 (E_RNA)
where:
Base-Base interactions energy: -123.600
where: short stacking energy: -57.437
Base-Backbone interact. energy: -0.224
local terms energy: -57.503931
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -87.172035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.172035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.172035 (E_RNA)
where:
Base-Base interactions energy: -41.738
where: short stacking energy: -41.738
Base-Backbone interact. energy: -0.039
local terms energy: -45.395486
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -5.702
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: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -82.929532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929532 (E_RNA)
where:
Base-Base interactions energy: -37.854
where: short stacking energy: -37.854
Base-Backbone interact. energy: -0.139
local terms energy: -44.936328
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -7.284
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: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -77.048924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.048924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.048924 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -23.491
Base-Backbone interact. energy: -0.162
local terms energy: -45.531538
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: 0.410
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -226.855556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.855556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.855556 (E_RNA)
where:
Base-Base interactions energy: -151.478
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.001
local terms energy: -75.376291
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -11.782
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: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -216.167320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.167320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.167320 (E_RNA)
where:
Base-Base interactions energy: -148.224
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.337
local terms energy: -67.606223
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -12.956
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: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -219.178590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.178590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.178590 (E_RNA)
where:
Base-Base interactions energy: -147.663
where: short stacking energy: -67.456
Base-Backbone interact. energy: -0.001
local terms energy: -71.514848
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -19.722
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: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -225.685871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.685871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.685871 (E_RNA)
where:
Base-Base interactions energy: -148.151
where: short stacking energy: -76.832
Base-Backbone interact. energy: -0.004
local terms energy: -77.530183
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -9.755
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: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -209.209765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.209765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.209765 (E_RNA)
where:
Base-Base interactions energy: -136.408
where: short stacking energy: -64.040
Base-Backbone interact. energy: -0.103
local terms energy: -72.698877
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.796
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: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -176.024792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.024792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.024792 (E_RNA)
where:
Base-Base interactions energy: -113.151
where: short stacking energy: -45.632
Base-Backbone interact. energy: -0.631
local terms energy: -62.242875
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -174.792242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.792242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.792242 (E_RNA)
where:
Base-Base interactions energy: -120.901
where: short stacking energy: -48.366
Base-Backbone interact. energy: -0.200
local terms energy: -53.691728
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -8.418
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: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -82.554006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.554006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.554006 (E_RNA)
where:
Base-Base interactions energy: -40.249
where: short stacking energy: -26.755
Base-Backbone interact. energy: -0.807
local terms energy: -41.497837
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -7.767
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -80.137790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137790 (E_RNA)
where:
Base-Base interactions energy: -35.957
where: short stacking energy: -35.957
Base-Backbone interact. energy: -0.050
local terms energy: -44.131234
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -74.227354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.227354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.227354 (E_RNA)
where:
Base-Base interactions energy: -27.528
where: short stacking energy: -20.954
Base-Backbone interact. energy: -0.075
local terms energy: -46.624453
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: 0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -227.177640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.177640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.177640 (E_RNA)
where:
Base-Base interactions energy: -152.448
where: short stacking energy: -68.612
Base-Backbone interact. energy: -0.348
local terms energy: -74.381909
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -227.200444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.200444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.200444 (E_RNA)
where:
Base-Base interactions energy: -150.901
where: short stacking energy: -74.854
Base-Backbone interact. energy: -0.001
local terms energy: -76.298292
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -210.876292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.876292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.876292 (E_RNA)
where:
Base-Base interactions energy: -148.604
where: short stacking energy: -66.795
Base-Backbone interact. energy: -0.118
local terms energy: -62.153741
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -5.511
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: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -216.095862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.095862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.095862 (E_RNA)
where:
Base-Base interactions energy: -141.232
where: short stacking energy: -63.690
Base-Backbone interact. energy: -0.038
local terms energy: -74.826296
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -23.184
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: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -220.304344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.304344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.304344 (E_RNA)
where:
Base-Base interactions energy: -142.519
where: short stacking energy: -70.583
Base-Backbone interact. energy: -0.642
local terms energy: -77.143215
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -10.061
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: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -183.307887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.307887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.307887 (E_RNA)
where:
Base-Base interactions energy: -126.366
where: short stacking energy: -64.618
Base-Backbone interact. energy: -0.078
local terms energy: -56.864503
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -10.259
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -183.049384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.049384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.049384 (E_RNA)
where:
Base-Base interactions energy: -124.999
where: short stacking energy: -61.013
Base-Backbone interact. energy: -0.053
local terms energy: -57.997245
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -88.669046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.669046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.669046 (E_RNA)
where:
Base-Base interactions energy: -34.925
where: short stacking energy: -32.234
Base-Backbone interact. energy: -0.510
local terms energy: -53.234213
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -4.350
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: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -77.481239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.481239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.481239 (E_RNA)
where:
Base-Base interactions energy: -21.044
where: short stacking energy: -20.055
Base-Backbone interact. energy: -1.294
local terms energy: -55.142875
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -4.969
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: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -81.735358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.735358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.735358 (E_RNA)
where:
Base-Base interactions energy: -36.682
where: short stacking energy: -31.227
Base-Backbone interact. energy: -0.069
local terms energy: -44.984879
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -222.792555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.792555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.792555 (E_RNA)
where:
Base-Base interactions energy: -146.728
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.230
local terms energy: -75.834736
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -222.103195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.103195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.103195 (E_RNA)
where:
Base-Base interactions energy: -151.247
where: short stacking energy: -70.426
Base-Backbone interact. energy: 0.451
local terms energy: -71.307599
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -213.253475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.253475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.253475 (E_RNA)
where:
Base-Base interactions energy: -145.161
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.301
local terms energy: -67.790734
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -7.633
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: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -224.272868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.272868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.272868 (E_RNA)
where:
Base-Base interactions energy: -146.546
where: short stacking energy: -66.796
Base-Backbone interact. energy: 1.371
local terms energy: -79.098140
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -12.305
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: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -213.159749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.159749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.159749 (E_RNA)
where:
Base-Base interactions energy: -137.453
where: short stacking energy: -66.376
Base-Backbone interact. energy: -0.010
local terms energy: -75.696958
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -9.990
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: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -177.509082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.509082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.509082 (E_RNA)
where:
Base-Base interactions energy: -108.775
where: short stacking energy: -51.193
Base-Backbone interact. energy: -0.291
local terms energy: -68.443082
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -184.866371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.866371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.866371 (E_RNA)
where:
Base-Base interactions energy: -120.812
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.065
local terms energy: -63.989128
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -139.102771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.102771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.102771 (E_RNA)
where:
Base-Base interactions energy: -84.965
where: short stacking energy: -39.141
Base-Backbone interact. energy: -0.097
local terms energy: -54.040691
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -96.730838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.730838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.730838 (E_RNA)
where:
Base-Base interactions energy: -47.035
where: short stacking energy: -30.966
Base-Backbone interact. energy: -0.641
local terms energy: -49.055009
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -77.082541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.082541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.082541 (E_RNA)
where:
Base-Base interactions energy: -27.574
where: short stacking energy: -27.574
Base-Backbone interact. energy: -0.044
local terms energy: -49.464778
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: 0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -231.712886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.712886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.712886 (E_RNA)
where:
Base-Base interactions energy: -150.180
where: short stacking energy: -71.207
Base-Backbone interact. energy: -0.000
local terms energy: -81.533069
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -222.321750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.321750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.321750 (E_RNA)
where:
Base-Base interactions energy: -147.227
where: short stacking energy: -71.015
Base-Backbone interact. energy: -0.264
local terms energy: -74.830479
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -226.008603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.008603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.008603 (E_RNA)
where:
Base-Base interactions energy: -147.327
where: short stacking energy: -72.712
Base-Backbone interact. energy: -0.135
local terms energy: -78.546462
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -219.834024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.834024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.834024 (E_RNA)
where:
Base-Base interactions energy: -142.715
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.249
local terms energy: -76.870288
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -211.326646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.326646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.326646 (E_RNA)
where:
Base-Base interactions energy: -142.168
where: short stacking energy: -67.407
Base-Backbone interact. energy: -0.002
local terms energy: -69.156957
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -11.331
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: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -179.310980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.310980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.310980 (E_RNA)
where:
Base-Base interactions energy: -117.028
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.074
local terms energy: -62.209170
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -186.772534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.772534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.772534 (E_RNA)
where:
Base-Base interactions energy: -121.207
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.053
local terms energy: -65.513012
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -123.536612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.536612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.536612 (E_RNA)
where:
Base-Base interactions energy: -72.096
where: short stacking energy: -32.744
Base-Backbone interact. energy: 0.044
local terms energy: -51.483785
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -8.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -86.489089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.489089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.489089 (E_RNA)
where:
Base-Base interactions energy: -30.615
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.047
local terms energy: -55.827943
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -75.432447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.432447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.432447 (E_RNA)
where:
Base-Base interactions energy: -36.222
where: short stacking energy: -15.810
Base-Backbone interact. energy: 0.614
local terms energy: -39.824770
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: 2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -234.561247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.561247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.561247 (E_RNA)
where:
Base-Base interactions energy: -154.789
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.006
local terms energy: -79.765794
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -228.818936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.818936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.818936 (E_RNA)
where:
Base-Base interactions energy: -151.790
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.153
local terms energy: -76.875727
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -227.059554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.059554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.059554 (E_RNA)
where:
Base-Base interactions energy: -156.439
where: short stacking energy: -60.706
Base-Backbone interact. energy: -0.483
local terms energy: -70.137670
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -9.734
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: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -207.727431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.727431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.727431 (E_RNA)
where:
Base-Base interactions energy: -132.304
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.006
local terms energy: -75.417003
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -206.956446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.956446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.956446 (E_RNA)
where:
Base-Base interactions energy: -139.971
where: short stacking energy: -71.169
Base-Backbone interact. energy: -0.027
local terms energy: -66.958018
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.139
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: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -187.015622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.015622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.015622 (E_RNA)
where:
Base-Base interactions energy: -120.888
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.586
local terms energy: -65.540929
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -11.418
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: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -163.796698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.796698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.796698 (E_RNA)
where:
Base-Base interactions energy: -102.797
where: short stacking energy: -48.446
Base-Backbone interact. energy: -0.051
local terms energy: -60.948993
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -94.033354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.033354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.033354 (E_RNA)
where:
Base-Base interactions energy: -39.675
where: short stacking energy: -30.538
Base-Backbone interact. energy: -0.113
local terms energy: -54.245566
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -76.531110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.531110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.531110 (E_RNA)
where:
Base-Base interactions energy: -28.075
where: short stacking energy: -28.075
Base-Backbone interact. energy: -0.629
local terms energy: -47.827373
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -1.831
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: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -98.943044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.943044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.943044 (E_RNA)
where:
Base-Base interactions energy: -52.233
where: short stacking energy: -34.082
Base-Backbone interact. energy: -0.389
local terms energy: -46.320968
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -230.666155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.666155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.666155 (E_RNA)
where:
Base-Base interactions energy: -145.870
where: short stacking energy: -70.367
Base-Backbone interact. energy: -0.000
local terms energy: -84.795991
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -24.096
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: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -225.690741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.690741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.690741 (E_RNA)
where:
Base-Base interactions energy: -154.978
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.284
local terms energy: -70.428707
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -9.864
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: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -221.081879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.081879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.081879 (E_RNA)
where:
Base-Base interactions energy: -160.047
where: short stacking energy: -71.057
Base-Backbone interact. energy: 0.881
local terms energy: -61.915702
where:
bonds (distance) C4'-P energy: -4.364
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -207.859187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.859187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.859187 (E_RNA)
where:
Base-Base interactions energy: -134.867
where: short stacking energy: -76.207
Base-Backbone interact. energy: -0.628
local terms energy: -72.363943
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -180.248325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.248325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.248325 (E_RNA)
where:
Base-Base interactions energy: -114.499
where: short stacking energy: -53.347
Base-Backbone interact. energy: 0.118
local terms energy: -65.867112
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -9.189
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: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -203.268610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.268610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.268610 (E_RNA)
where:
Base-Base interactions energy: -139.885
where: short stacking energy: -62.786
Base-Backbone interact. energy: -0.183
local terms energy: -63.200721
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -180.739897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.739897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.739897 (E_RNA)
where:
Base-Base interactions energy: -126.097
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.509
local terms energy: -54.133859
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -86.497092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.497092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.497092 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -32.027
Base-Backbone interact. energy: 0.065
local terms energy: -47.041201
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -3.638
tors. eta vs tors. theta energy: -5.243
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: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -81.962257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.962257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.962257 (E_RNA)
where:
Base-Base interactions energy: -29.457
where: short stacking energy: -29.234
Base-Backbone interact. energy: -0.052
local terms energy: -52.453652
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -4.757
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: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -85.913159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913159 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -30.223
Base-Backbone interact. energy: -0.326
local terms energy: -55.364113
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -228.019877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.019877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.019877 (E_RNA)
where:
Base-Base interactions energy: -142.313
where: short stacking energy: -72.038
Base-Backbone interact. energy: -0.575
local terms energy: -85.131437
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -23.522
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: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -217.363281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.363281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.363281 (E_RNA)
where:
Base-Base interactions energy: -143.851
where: short stacking energy: -62.008
Base-Backbone interact. energy: -0.279
local terms energy: -73.232606
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -13.021
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: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -215.453744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.453744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.453744 (E_RNA)
where:
Base-Base interactions energy: -142.710
where: short stacking energy: -65.943
Base-Backbone interact. energy: -0.895
local terms energy: -71.848294
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -19.315
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: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -207.100014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.100014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.100014 (E_RNA)
where:
Base-Base interactions energy: -140.173
where: short stacking energy: -62.876
Base-Backbone interact. energy: 0.451
local terms energy: -67.378030
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -17.430
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: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -185.624152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.624152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.624152 (E_RNA)
where:
Base-Base interactions energy: -117.197
where: short stacking energy: -56.137
Base-Backbone interact. energy: -0.072
local terms energy: -68.355043
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -175.786513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.786513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.786513 (E_RNA)
where:
Base-Base interactions energy: -113.617
where: short stacking energy: -53.742
Base-Backbone interact. energy: -0.011
local terms energy: -62.158755
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -12.020
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: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -201.854275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.854275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.854275 (E_RNA)
where:
Base-Base interactions energy: -130.342
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.002
local terms energy: -71.510069
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -85.251017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.251017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.251017 (E_RNA)
where:
Base-Base interactions energy: -32.672
where: short stacking energy: -31.976
Base-Backbone interact. energy: -0.005
local terms energy: -52.573925
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -73.873933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.873933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.873933 (E_RNA)
where:
Base-Base interactions energy: -31.395
where: short stacking energy: -21.884
Base-Backbone interact. energy: 1.618
local terms energy: -44.097145
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -10.061
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -85.905659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.905659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.905659 (E_RNA)
where:
Base-Base interactions energy: -48.368
where: short stacking energy: -10.461
Base-Backbone interact. energy: 1.177
local terms energy: -38.715085
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: 4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -231.743301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.743301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.743301 (E_RNA)
where:
Base-Base interactions energy: -156.976
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.462
local terms energy: -74.304759
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -10.038
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: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -227.532883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.532883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.532883 (E_RNA)
where:
Base-Base interactions energy: -147.510
where: short stacking energy: -69.289
Base-Backbone interact. energy: -0.002
local terms energy: -80.021369
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -11.252
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: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -211.628272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.628272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.628272 (E_RNA)
where:
Base-Base interactions energy: -140.352
where: short stacking energy: -59.034
Base-Backbone interact. energy: -0.296
local terms energy: -70.980569
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -11.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -215.936345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.936345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.936345 (E_RNA)
where:
Base-Base interactions energy: -147.267
where: short stacking energy: -71.106
Base-Backbone interact. energy: -0.323
local terms energy: -68.345762
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -19.718
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: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -181.548321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.548321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.548321 (E_RNA)
where:
Base-Base interactions energy: -113.928
where: short stacking energy: -58.001
Base-Backbone interact. energy: -0.252
local terms energy: -67.368238
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -182.908670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.908670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.908670 (E_RNA)
where:
Base-Base interactions energy: -127.037
where: short stacking energy: -58.759
Base-Backbone interact. energy: -0.182
local terms energy: -55.690183
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -186.605825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.605825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.605825 (E_RNA)
where:
Base-Base interactions energy: -126.296
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.532
local terms energy: -59.777909
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -7.387
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -8.184
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: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -97.141443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.141443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.141443 (E_RNA)
where:
Base-Base interactions energy: -51.018
where: short stacking energy: -46.044
Base-Backbone interact. energy: -0.086
local terms energy: -46.037592
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -5.382
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -8.283
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: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -87.725091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.725091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.725091 (E_RNA)
where:
Base-Base interactions energy: -44.122
where: short stacking energy: -23.455
Base-Backbone interact. energy: -0.389
local terms energy: -43.213482
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -80.296018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.296018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.296018 (E_RNA)
where:
Base-Base interactions energy: -31.180
where: short stacking energy: -21.016
Base-Backbone interact. energy: -0.315
local terms energy: -48.800561
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -2.095
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: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -226.884516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.884516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.884516 (E_RNA)
where:
Base-Base interactions energy: -150.267
where: short stacking energy: -73.705
Base-Backbone interact. energy: -0.116
local terms energy: -76.501386
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -227.905549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.905549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.905549 (E_RNA)
where:
Base-Base interactions energy: -149.353
where: short stacking energy: -77.188
Base-Backbone interact. energy: 0.166
local terms energy: -78.718452
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -19.778
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -213.756965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.756965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.756965 (E_RNA)
where:
Base-Base interactions energy: -137.174
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.013
local terms energy: -76.570132
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -11.170
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: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -220.429806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.429806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.429806 (E_RNA)
where:
Base-Base interactions energy: -142.835
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.000
local terms energy: -77.594351
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -12.558
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: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -180.215376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.215376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.215376 (E_RNA)
where:
Base-Base interactions energy: -109.600
where: short stacking energy: -49.656
Base-Backbone interact. energy: -0.123
local terms energy: -70.491882
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -204.310158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.310158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.310158 (E_RNA)
where:
Base-Base interactions energy: -132.124
where: short stacking energy: -69.214
Base-Backbone interact. energy: 0.681
local terms energy: -72.867103
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -166.784345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.784345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.784345 (E_RNA)
where:
Base-Base interactions energy: -107.923
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.555
local terms energy: -58.306188
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -82.500023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.500023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.500023 (E_RNA)
where:
Base-Base interactions energy: -33.345
where: short stacking energy: -22.534
Base-Backbone interact. energy: 2.069
local terms energy: -51.223839
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -2.198
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: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -77.461893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.461893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.461893 (E_RNA)
where:
Base-Base interactions energy: -30.880
where: short stacking energy: -30.878
Base-Backbone interact. energy: -0.120
local terms energy: -46.462346
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: 0.564
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: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -76.711834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.711834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.711834 (E_RNA)
where:
Base-Base interactions energy: -28.836
where: short stacking energy: -28.836
Base-Backbone interact. energy: -0.028
local terms energy: -47.847965
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -6.751
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: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -225.229836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.229836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.229836 (E_RNA)
where:
Base-Base interactions energy: -142.814
where: short stacking energy: -62.216
Base-Backbone interact. energy: 0.022
local terms energy: -82.438219
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -22.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -224.037644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.037644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.037644 (E_RNA)
where:
Base-Base interactions energy: -148.348
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.051
local terms energy: -75.639076
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -9.878
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: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -208.688828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.688828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.688828 (E_RNA)
where:
Base-Base interactions energy: -143.561
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.116
local terms energy: -65.011181
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -211.492217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.492217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.492217 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -60.057
Base-Backbone interact. energy: -0.101
local terms energy: -73.577973
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -11.108
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: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -179.678925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.678925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.678925 (E_RNA)
where:
Base-Base interactions energy: -117.163
where: short stacking energy: -51.333
Base-Backbone interact. energy: -0.158
local terms energy: -62.357576
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -191.735353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.735353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.735353 (E_RNA)
where:
Base-Base interactions energy: -120.699
where: short stacking energy: -57.471
Base-Backbone interact. energy: -0.482
local terms energy: -70.555079
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -167.609961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.609961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.609961 (E_RNA)
where:
Base-Base interactions energy: -111.971
where: short stacking energy: -49.330
Base-Backbone interact. energy: -0.083
local terms energy: -55.555710
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -83.667032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.667032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.667032 (E_RNA)
where:
Base-Base interactions energy: -35.372
where: short stacking energy: -32.635
Base-Backbone interact. energy: 0.533
local terms energy: -48.828360
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -3.638
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -85.608795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.608795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.608795 (E_RNA)
where:
Base-Base interactions energy: -30.720
where: short stacking energy: -19.015
Base-Backbone interact. energy: -1.358
local terms energy: -53.530261
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: 3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -73.800917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.800917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.800917 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -26.897
Base-Backbone interact. energy: 1.661
local terms energy: -41.414420
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -8.002
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -232.719492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.719492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.719492 (E_RNA)
where:
Base-Base interactions energy: -153.454
where: short stacking energy: -74.768
Base-Backbone interact. energy: -0.280
local terms energy: -78.985602
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.359
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: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -229.887538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.887538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.887538 (E_RNA)
where:
Base-Base interactions energy: -157.139
where: short stacking energy: -74.373
Base-Backbone interact. energy: 0.827
local terms energy: -73.575084
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -219.446702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.446702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.446702 (E_RNA)
where:
Base-Base interactions energy: -149.062
where: short stacking energy: -61.054
Base-Backbone interact. energy: -0.420
local terms energy: -69.965408
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -11.371
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: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -192.443500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.443500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.443500 (E_RNA)
where:
Base-Base interactions energy: -121.957
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.916
local terms energy: -69.570816
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -192.754352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.754352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.754352 (E_RNA)
where:
Base-Base interactions energy: -126.716
where: short stacking energy: -60.939
Base-Backbone interact. energy: 0.060
local terms energy: -66.098889
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -7.538
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: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -173.091098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.091098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.091098 (E_RNA)
where:
Base-Base interactions energy: -108.957
where: short stacking energy: -54.009
Base-Backbone interact. energy: -0.251
local terms energy: -63.882983
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -189.489176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.489176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.489176 (E_RNA)
where:
Base-Base interactions energy: -123.543
where: short stacking energy: -57.640
Base-Backbone interact. energy: -0.636
local terms energy: -65.310302
where:
bonds (distance) C4'-P energy: -9.219
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -7.965
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: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -84.954855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.954855 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -32.196
Base-Backbone interact. energy: -0.048
local terms energy: -48.762428
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -83.952583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.952583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.952583 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -29.086
Base-Backbone interact. energy: -0.049
local terms energy: -48.414191
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -7.171
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: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -78.851298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.851298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.851298 (E_RNA)
where:
Base-Base interactions energy: -26.155
where: short stacking energy: -24.862
Base-Backbone interact. energy: -0.520
local terms energy: -52.176891
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -1.828
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: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -231.813547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.813547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.813547 (E_RNA)
where:
Base-Base interactions energy: -158.970
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.355
local terms energy: -72.488237
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -8.724
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: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -225.195539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.195539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.195539 (E_RNA)
where:
Base-Base interactions energy: -147.330
where: short stacking energy: -75.520
Base-Backbone interact. energy: -0.146
local terms energy: -77.719129
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -214.540357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.540357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.540357 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -63.828
Base-Backbone interact. energy: -0.500
local terms energy: -68.251870
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -193.182505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.182505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.182505 (E_RNA)
where:
Base-Base interactions energy: -126.127
where: short stacking energy: -61.802
Base-Backbone interact. energy: -0.004
local terms energy: -67.051522
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -215.353685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.353685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.353685 (E_RNA)
where:
Base-Base interactions energy: -142.127
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.049
local terms energy: -73.178104
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -22.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -171.964304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.964304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.964304 (E_RNA)
where:
Base-Base interactions energy: -118.263
where: short stacking energy: -58.245
Base-Backbone interact. energy: -0.120
local terms energy: -53.581274
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -207.317385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.317385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.317385 (E_RNA)
where:
Base-Base interactions energy: -133.103
where: short stacking energy: -71.599
Base-Backbone interact. energy: 0.838
local terms energy: -75.051855
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -12.384
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: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -94.016553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.016553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.016553 (E_RNA)
where:
Base-Base interactions energy: -40.700
where: short stacking energy: -23.714
Base-Backbone interact. energy: 2.012
local terms energy: -55.328741
where:
bonds (distance) C4'-P energy: -6.786
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -94.732992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.732992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.732992 (E_RNA)
where:
Base-Base interactions energy: -44.580
where: short stacking energy: -22.667
Base-Backbone interact. energy: -0.152
local terms energy: -50.000833
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -1.093
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: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -76.844638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.844638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.844638 (E_RNA)
where:
Base-Base interactions energy: -26.920
where: short stacking energy: -23.662
Base-Backbone interact. energy: -0.027
local terms energy: -49.897174
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -227.964586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.964586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.964586 (E_RNA)
where:
Base-Base interactions energy: -148.429
where: short stacking energy: -67.390
Base-Backbone interact. energy: -0.931
local terms energy: -78.604340
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -223.384696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.384696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.384696 (E_RNA)
where:
Base-Base interactions energy: -143.386
where: short stacking energy: -67.836
Base-Backbone interact. energy: -0.244
local terms energy: -79.754398
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -23.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -207.644834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.644834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.644834 (E_RNA)
where:
Base-Base interactions energy: -146.172
where: short stacking energy: -60.670
Base-Backbone interact. energy: -0.224
local terms energy: -61.248044
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -11.116
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: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -185.386205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.386205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.386205 (E_RNA)
where:
Base-Base interactions energy: -119.997
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.151
local terms energy: -65.238722
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -8.543
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: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -215.688814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.688814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.688814 (E_RNA)
where:
Base-Base interactions energy: -147.269
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.498
local terms energy: -67.921358
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -22.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -189.703103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.703103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.703103 (E_RNA)
where:
Base-Base interactions energy: -122.521
where: short stacking energy: -53.639
Base-Backbone interact. energy: -0.031
local terms energy: -67.151260
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -185.454040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.454040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.454040 (E_RNA)
where:
Base-Base interactions energy: -122.992
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.002
local terms energy: -62.459576
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -80.747575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.747575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.747575 (E_RNA)
where:
Base-Base interactions energy: -27.955
where: short stacking energy: -28.055
Base-Backbone interact. energy: -0.272
local terms energy: -52.521163
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -83.165179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.165179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.165179 (E_RNA)
where:
Base-Base interactions energy: -39.426
where: short stacking energy: -39.426
Base-Backbone interact. energy: -0.112
local terms energy: -43.626342
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -6.746
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -77.624322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.624322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.624322 (E_RNA)
where:
Base-Base interactions energy: -25.039
where: short stacking energy: -25.039
Base-Backbone interact. energy: -0.215
local terms energy: -52.370475
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -7.844
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -227.582660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.582660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.582660 (E_RNA)
where:
Base-Base interactions energy: -151.840
where: short stacking energy: -74.805
Base-Backbone interact. energy: -0.575
local terms energy: -75.167606
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -10.892
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: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -224.375275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.375275 (E_RNA)
where:
Base-Base interactions energy: -151.002
where: short stacking energy: -73.358
Base-Backbone interact. energy: -0.344
local terms energy: -73.029323
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -215.330745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.330745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.330745 (E_RNA)
where:
Base-Base interactions energy: -138.365
where: short stacking energy: -61.111
Base-Backbone interact. energy: -0.398
local terms energy: -76.567590
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -11.481
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: 4, replica: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -188.928995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.928995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.928995 (E_RNA)
where:
Base-Base interactions energy: -119.526
where: short stacking energy: -54.925
Base-Backbone interact. energy: -0.030
local terms energy: -69.372992
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -216.736232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.736232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.736232 (E_RNA)
where:
Base-Base interactions energy: -139.803
where: short stacking energy: -67.008
Base-Backbone interact. energy: -0.417
local terms energy: -76.517048
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -9.050
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: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -179.089087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.089087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.089087 (E_RNA)
where:
Base-Base interactions energy: -115.835
where: short stacking energy: -52.879
Base-Backbone interact. energy: -0.492
local terms energy: -62.762402
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -17.232
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: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -168.525036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.525036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.525036 (E_RNA)
where:
Base-Base interactions energy: -109.579
where: short stacking energy: -49.965
Base-Backbone interact. energy: -0.203
local terms energy: -58.743160
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -12.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -97.893003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.893003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.893003 (E_RNA)
where:
Base-Base interactions energy: -33.033
where: short stacking energy: -32.967
Base-Backbone interact. energy: -0.036
local terms energy: -64.824632
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -71.485514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.485514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.485514 (E_RNA)
where:
Base-Base interactions energy: -22.548
where: short stacking energy: -15.863
Base-Backbone interact. energy: 1.528
local terms energy: -50.465058
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -75.161891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.161891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.161891 (E_RNA)
where:
Base-Base interactions energy: -26.775
where: short stacking energy: -20.998
Base-Backbone interact. energy: -0.996
local terms energy: -47.391419
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -7.474
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -228.232926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.232926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.232926 (E_RNA)
where:
Base-Base interactions energy: -148.677
where: short stacking energy: -74.649
Base-Backbone interact. energy: -0.005
local terms energy: -79.551488
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -21.190
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: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -221.146520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.146520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.146520 (E_RNA)
where:
Base-Base interactions energy: -150.882
where: short stacking energy: -58.052
Base-Backbone interact. energy: -0.338
local terms energy: -69.926845
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -17.298
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: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -220.927118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.927118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.927118 (E_RNA)
where:
Base-Base interactions energy: -152.246
where: short stacking energy: -67.627
Base-Backbone interact. energy: -0.001
local terms energy: -68.680710
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -20.987
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: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -206.896689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.896689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.896689 (E_RNA)
where:
Base-Base interactions energy: -136.077
where: short stacking energy: -68.874
Base-Backbone interact. energy: -0.009
local terms energy: -70.810838
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -7.631
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: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -190.465795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.465795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.465795 (E_RNA)
where:
Base-Base interactions energy: -121.753
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.160
local terms energy: -68.552959
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -192.296089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.296089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.296089 (E_RNA)
where:
Base-Base interactions energy: -121.702
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.001
local terms energy: -70.592843
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -11.301
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: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -171.147764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.147764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.147764 (E_RNA)
where:
Base-Base interactions energy: -107.136
where: short stacking energy: -51.926
Base-Backbone interact. energy: -1.531
local terms energy: -62.480875
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -81.208015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.208015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.208015 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -26.838
Base-Backbone interact. energy: -0.198
local terms energy: -51.097581
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: 3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -79.960049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.960049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.960049 (E_RNA)
where:
Base-Base interactions energy: -39.629
where: short stacking energy: -32.204
Base-Backbone interact. energy: -0.129
local terms energy: -40.202109
where:
bonds (distance) C4'-P energy: -7.382
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -8.128
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -77.975123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.975123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.975123 (E_RNA)
where:
Base-Base interactions energy: -32.160
where: short stacking energy: -20.401
Base-Backbone interact. energy: -0.226
local terms energy: -45.589412
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: 2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -220.102006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.102006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.102006 (E_RNA)
where:
Base-Base interactions energy: -145.737
where: short stacking energy: -67.472
Base-Backbone interact. energy: -0.830
local terms energy: -73.535424
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -13.143
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: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -238.184821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.184821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.184821 (E_RNA)
where:
Base-Base interactions energy: -155.436
where: short stacking energy: -80.377
Base-Backbone interact. energy: -0.004
local terms energy: -82.745206
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -11.670
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: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -212.896059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.896059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.896059 (E_RNA)
where:
Base-Base interactions energy: -144.192
where: short stacking energy: -73.008
Base-Backbone interact. energy: -0.346
local terms energy: -68.357941
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -9.035
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: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -215.733360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.733360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.733360 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.578
local terms energy: -73.040459
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -9.947
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: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -183.999000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.999000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.999000 (E_RNA)
where:
Base-Base interactions energy: -124.241
where: short stacking energy: -56.488
Base-Backbone interact. energy: -0.357
local terms energy: -59.401132
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -17.620
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: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -180.209889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.209889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.209889 (E_RNA)
where:
Base-Base interactions energy: -110.498
where: short stacking energy: -52.832
Base-Backbone interact. energy: -0.715
local terms energy: -68.996479
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -175.921422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.921422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.921422 (E_RNA)
where:
Base-Base interactions energy: -115.272
where: short stacking energy: -51.774
Base-Backbone interact. energy: -0.018
local terms energy: -60.631746
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -79.492654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.492654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.492654 (E_RNA)
where:
Base-Base interactions energy: -24.569
where: short stacking energy: -20.252
Base-Backbone interact. energy: -0.498
local terms energy: -54.425807
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -84.381328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.381328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.381328 (E_RNA)
where:
Base-Base interactions energy: -41.214
where: short stacking energy: -41.206
Base-Backbone interact. energy: -0.039
local terms energy: -43.128095
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -7.922
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: 0.442
tors. eta vs tors. theta energy: -11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -106.566199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.566199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.566199 (E_RNA)
where:
Base-Base interactions energy: -63.381
where: short stacking energy: -29.368
Base-Backbone interact. energy: -1.080
local terms energy: -42.104874
where:
bonds (distance) C4'-P energy: -5.840
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -222.808702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.808702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.808702 (E_RNA)
where:
Base-Base interactions energy: -145.355
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.414
local terms energy: -77.040549
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -225.146262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.146262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.146262 (E_RNA)
where:
Base-Base interactions energy: -147.983
where: short stacking energy: -74.937
Base-Backbone interact. energy: -0.055
local terms energy: -77.107691
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.026
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: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -219.608576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.608576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.608576 (E_RNA)
where:
Base-Base interactions energy: -144.722
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.015
local terms energy: -74.870992
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -10.058
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: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -218.895900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.895900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.895900 (E_RNA)
where:
Base-Base interactions energy: -139.673
where: short stacking energy: -65.713
Base-Backbone interact. energy: -0.027
local terms energy: -79.196166
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -213.222625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.222625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.222625 (E_RNA)
where:
Base-Base interactions energy: -144.319
where: short stacking energy: -67.477
Base-Backbone interact. energy: 1.561
local terms energy: -70.464661
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -10.287
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: 417
Temperature: 1.150000
Total energy: -186.984570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.984570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.984570 (E_RNA)
where:
Base-Base interactions energy: -125.301
where: short stacking energy: -57.617
Base-Backbone interact. energy: 0.843
local terms energy: -62.526455
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -162.845901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.845901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.845901 (E_RNA)
where:
Base-Base interactions energy: -104.643
where: short stacking energy: -39.288
Base-Backbone interact. energy: 0.358
local terms energy: -58.561061
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -8.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -99.188483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.188483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.188483 (E_RNA)
where:
Base-Base interactions energy: -40.307
where: short stacking energy: -40.307
Base-Backbone interact. energy: -0.049
local terms energy: -58.832480
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -74.954575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.954575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.954575 (E_RNA)
where:
Base-Base interactions energy: -34.973
where: short stacking energy: -26.203
Base-Backbone interact. energy: -1.391
local terms energy: -38.591344
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: 1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -85.780632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.780632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.780632 (E_RNA)
where:
Base-Base interactions energy: -44.630
where: short stacking energy: -23.087
Base-Backbone interact. energy: -0.538
local terms energy: -40.612594
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -9.669
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: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -232.655605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.655605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.655605 (E_RNA)
where:
Base-Base interactions energy: -149.916
where: short stacking energy: -75.474
Base-Backbone interact. energy: -0.011
local terms energy: -82.728285
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -22.016
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: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -219.213774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.213774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.213774 (E_RNA)
where:
Base-Base interactions energy: -148.406
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.393
local terms energy: -70.414981
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -15.650
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: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -225.637951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.637951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.637951 (E_RNA)
where:
Base-Base interactions energy: -151.045
where: short stacking energy: -78.449
Base-Backbone interact. energy: -0.003
local terms energy: -74.589605
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -10.841
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: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -221.224822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.224822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.224822 (E_RNA)
where:
Base-Base interactions energy: -141.703
where: short stacking energy: -74.542
Base-Backbone interact. energy: -0.002
local terms energy: -79.519187
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -23.652
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: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -208.958865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.958865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.958865 (E_RNA)
where:
Base-Base interactions energy: -138.221
where: short stacking energy: -68.985
Base-Backbone interact. energy: 0.793
local terms energy: -71.531219
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -9.090
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: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -180.185524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.185524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.185524 (E_RNA)
where:
Base-Base interactions energy: -121.847
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.555
local terms energy: -57.783121
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -8.330
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -129.872808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.872808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.872808 (E_RNA)
where:
Base-Base interactions energy: -80.481
where: short stacking energy: -40.833
Base-Backbone interact. energy: 5.526
local terms energy: -54.917772
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -81.303953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.303953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.303953 (E_RNA)
where:
Base-Base interactions energy: -34.869
where: short stacking energy: -34.869
Base-Backbone interact. energy: -0.074
local terms energy: -46.360678
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -10.388
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -92.062999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.062999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.062999 (E_RNA)
where:
Base-Base interactions energy: -43.861
where: short stacking energy: -30.011
Base-Backbone interact. energy: 0.881
local terms energy: -49.083084
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -78.842205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.842205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.842205 (E_RNA)
where:
Base-Base interactions energy: -24.910
where: short stacking energy: -24.017
Base-Backbone interact. energy: -0.467
local terms energy: -53.466127
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -226.707520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.707520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.707520 (E_RNA)
where:
Base-Base interactions energy: -151.503
where: short stacking energy: -68.298
Base-Backbone interact. energy: -0.582
local terms energy: -74.622793
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -21.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -220.736112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.736112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.736112 (E_RNA)
where:
Base-Base interactions energy: -150.474
where: short stacking energy: -69.916
Base-Backbone interact. energy: -0.026
local terms energy: -70.235871
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -7.812
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: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -208.225251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.225251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.225251 (E_RNA)
where:
Base-Base interactions energy: -135.999
where: short stacking energy: -58.386
Base-Backbone interact. energy: -0.316
local terms energy: -71.909634
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -203.809160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.809160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.809160 (E_RNA)
where:
Base-Base interactions energy: -130.870
where: short stacking energy: -72.556
Base-Backbone interact. energy: -0.122
local terms energy: -72.817576
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -202.217315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.217315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.217315 (E_RNA)
where:
Base-Base interactions energy: -133.748
where: short stacking energy: -66.692
Base-Backbone interact. energy: -0.007
local terms energy: -68.462068
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -6.993
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -22.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -183.705392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.705392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.705392 (E_RNA)
where:
Base-Base interactions energy: -115.257
where: short stacking energy: -58.998
Base-Backbone interact. energy: -0.007
local terms energy: -68.441093
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -92.663408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.663408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.663408 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -34.958
Base-Backbone interact. energy: -0.228
local terms energy: -53.495178
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -1.280
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: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -89.129774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.129774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.129774 (E_RNA)
where:
Base-Base interactions energy: -48.813
where: short stacking energy: -28.877
Base-Backbone interact. energy: -0.241
local terms energy: -40.075721
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: 0.701
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: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -83.271063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.271063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.271063 (E_RNA)
where:
Base-Base interactions energy: -37.482
where: short stacking energy: -26.630
Base-Backbone interact. energy: -1.140
local terms energy: -44.648907
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -11.864
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: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -77.976931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.976931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.976931 (E_RNA)
where:
Base-Base interactions energy: -32.922
where: short stacking energy: -32.922
Base-Backbone interact. energy: -0.173
local terms energy: -44.881946
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -227.493237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.493237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.493237 (E_RNA)
where:
Base-Base interactions energy: -146.668
where: short stacking energy: -70.742
Base-Backbone interact. energy: -0.082
local terms energy: -80.743179
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.898
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: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -231.706558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.706558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.706558 (E_RNA)
where:
Base-Base interactions energy: -151.315
where: short stacking energy: -68.472
Base-Backbone interact. energy: 0.212
local terms energy: -80.603233
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -10.361
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: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -199.618209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.618209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.618209 (E_RNA)
where:
Base-Base interactions energy: -132.972
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.332
local terms energy: -66.314662
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -8.112
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: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -197.647890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.647890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.647890 (E_RNA)
where:
Base-Base interactions energy: -133.656
where: short stacking energy: -55.523
Base-Backbone interact. energy: -0.323
local terms energy: -63.669041
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -12.062
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: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -203.742137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.742137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.742137 (E_RNA)
where:
Base-Base interactions energy: -126.583
where: short stacking energy: -64.478
Base-Backbone interact. energy: -0.075
local terms energy: -77.083846
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.311
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: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -198.306281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.306281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.306281 (E_RNA)
where:
Base-Base interactions energy: -129.476
where: short stacking energy: -55.548
Base-Backbone interact. energy: -0.351
local terms energy: -68.479090
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -79.017598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.017598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.017598 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -31.535
Base-Backbone interact. energy: -0.132
local terms energy: -47.350002
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -91.924877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.924877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.924877 (E_RNA)
where:
Base-Base interactions energy: -41.967
where: short stacking energy: -28.269
Base-Backbone interact. energy: -0.211
local terms energy: -49.746333
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -88.949584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.949584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.949584 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -28.696
Base-Backbone interact. energy: -0.104
local terms energy: -51.586700
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -2.011
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: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -74.700869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.700869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.700869 (E_RNA)
where:
Base-Base interactions energy: -31.865
where: short stacking energy: -29.428
Base-Backbone interact. energy: -0.348
local terms energy: -42.488175
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -3.991
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: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -225.948430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.948430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.948430 (E_RNA)
where:
Base-Base interactions energy: -149.417
where: short stacking energy: -66.951
Base-Backbone interact. energy: -0.290
local terms energy: -76.241202
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -22.624
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: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -222.266232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.266232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.266232 (E_RNA)
where:
Base-Base interactions energy: -146.716
where: short stacking energy: -74.420
Base-Backbone interact. energy: -0.264
local terms energy: -75.285807
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -9.887
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: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -207.565225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.565225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.565225 (E_RNA)
where:
Base-Base interactions energy: -144.651
where: short stacking energy: -60.489
Base-Backbone interact. energy: -0.320
local terms energy: -62.594305
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -194.796479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.796479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.796479 (E_RNA)
where:
Base-Base interactions energy: -130.193
where: short stacking energy: -64.182
Base-Backbone interact. energy: -0.735
local terms energy: -63.867799
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -189.564959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.564959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.564959 (E_RNA)
where:
Base-Base interactions energy: -121.535
where: short stacking energy: -58.098
Base-Backbone interact. energy: -0.042
local terms energy: -67.987079
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -10.933
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: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -197.661896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.661896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.661896 (E_RNA)
where:
Base-Base interactions energy: -131.654
where: short stacking energy: -68.283
Base-Backbone interact. energy: 1.711
local terms energy: -67.718757
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.268
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: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -121.425651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.425651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.425651 (E_RNA)
where:
Base-Base interactions energy: -70.702
where: short stacking energy: -39.534
Base-Backbone interact. energy: -0.007
local terms energy: -50.716384
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -7.363
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -9.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -85.560812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.560812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.560812 (E_RNA)
where:
Base-Base interactions energy: -34.705
where: short stacking energy: -29.643
Base-Backbone interact. energy: -0.348
local terms energy: -50.507813
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -8.245
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: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -78.173177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.173177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.173177 (E_RNA)
where:
Base-Base interactions energy: -41.245
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.049
local terms energy: -36.879396
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -3.755
tors. eta vs tors. theta energy: -2.468
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: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -84.621411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.621411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.621411 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.184
local terms energy: -53.026765
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -2.780
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: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -229.765342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.765342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.765342 (E_RNA)
where:
Base-Base interactions energy: -154.842
where: short stacking energy: -76.534
Base-Backbone interact. energy: -0.049
local terms energy: -74.875127
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -225.507987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.507987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.507987 (E_RNA)
where:
Base-Base interactions energy: -148.532
where: short stacking energy: -74.018
Base-Backbone interact. energy: -0.014
local terms energy: -76.961383
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.520
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: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -215.566579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.566579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.566579 (E_RNA)
where:
Base-Base interactions energy: -140.458
where: short stacking energy: -70.584
Base-Backbone interact. energy: -0.001
local terms energy: -75.107153
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -10.154
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: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -198.529425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.529425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.529425 (E_RNA)
where:
Base-Base interactions energy: -143.446
where: short stacking energy: -50.054
Base-Backbone interact. energy: -0.956
local terms energy: -54.127540
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -195.095431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.095431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.095431 (E_RNA)
where:
Base-Base interactions energy: -120.915
where: short stacking energy: -62.023
Base-Backbone interact. energy: -0.464
local terms energy: -73.715945
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -181.550756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.550756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.550756 (E_RNA)
where:
Base-Base interactions energy: -117.241
where: short stacking energy: -52.480
Base-Backbone interact. energy: -0.007
local terms energy: -64.302121
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -114.263114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.263114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.263114 (E_RNA)
where:
Base-Base interactions energy: -53.745
where: short stacking energy: -35.008
Base-Backbone interact. energy: -0.358
local terms energy: -60.160119
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -96.381962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.381962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.381962 (E_RNA)
where:
Base-Base interactions energy: -36.206
where: short stacking energy: -36.109
Base-Backbone interact. energy: -0.107
local terms energy: -60.069098
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -81.198876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.198876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.198876 (E_RNA)
where:
Base-Base interactions energy: -38.611
where: short stacking energy: -22.092
Base-Backbone interact. energy: -0.181
local terms energy: -42.406576
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -3.287
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: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -91.496798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.496798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.496798 (E_RNA)
where:
Base-Base interactions energy: -39.475
where: short stacking energy: -38.879
Base-Backbone interact. energy: -0.059
local terms energy: -51.962440
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -6.436
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: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -229.176596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.176596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.176596 (E_RNA)
where:
Base-Base interactions energy: -152.339
where: short stacking energy: -74.941
Base-Backbone interact. energy: -0.010
local terms energy: -76.828009
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -7.209
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: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -230.477025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.477025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.477025 (E_RNA)
where:
Base-Base interactions energy: -154.425
where: short stacking energy: -73.546
Base-Backbone interact. energy: -0.156
local terms energy: -75.895454
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -12.702
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: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -230.785552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.785552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.785552 (E_RNA)
where:
Base-Base interactions energy: -158.338
where: short stacking energy: -76.578
Base-Backbone interact. energy: -0.007
local terms energy: -72.441047
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -10.140
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: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -212.295544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.295544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.295544 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -62.246
Base-Backbone interact. energy: -0.005
local terms energy: -76.403543
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -208.755459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.755459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.755459 (E_RNA)
where:
Base-Base interactions energy: -149.503
where: short stacking energy: -56.566
Base-Backbone interact. energy: -0.491
local terms energy: -58.760886
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -9.175
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: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -184.639512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.639512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.639512 (E_RNA)
where:
Base-Base interactions energy: -120.686
where: short stacking energy: -59.842
Base-Backbone interact. energy: -0.015
local terms energy: -63.938495
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -93.042875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.042875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.042875 (E_RNA)
where:
Base-Base interactions energy: -41.555
where: short stacking energy: -33.578
Base-Backbone interact. energy: 0.321
local terms energy: -51.808255
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -87.498916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.498916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.498916 (E_RNA)
where:
Base-Base interactions energy: -34.416
where: short stacking energy: -34.533
Base-Backbone interact. energy: -0.097
local terms energy: -52.985172
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -1.095
tors. eta vs tors. theta energy: -4.736
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: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -82.458258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.458258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.458258 (E_RNA)
where:
Base-Base interactions energy: -42.637
where: short stacking energy: -26.662
Base-Backbone interact. energy: -0.785
local terms energy: -39.036138
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -9.326
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -1.248
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: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -80.088026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.088026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.088026 (E_RNA)
where:
Base-Base interactions energy: -24.140
where: short stacking energy: -24.140
Base-Backbone interact. energy: 0.043
local terms energy: -55.991517
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -225.144807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.144807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.144807 (E_RNA)
where:
Base-Base interactions energy: -152.936
where: short stacking energy: -67.947
Base-Backbone interact. energy: -0.425
local terms energy: -71.783424
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -10.526
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: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -225.237249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.237249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.237249 (E_RNA)
where:
Base-Base interactions energy: -147.879
where: short stacking energy: -75.181
Base-Backbone interact. energy: -0.658
local terms energy: -76.700116
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -221.416781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.416781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.416781 (E_RNA)
where:
Base-Base interactions energy: -145.732
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.030
local terms energy: -75.655105
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -19.446
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: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -216.895067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.895067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.895067 (E_RNA)
where:
Base-Base interactions energy: -143.384
where: short stacking energy: -67.829
Base-Backbone interact. energy: -0.009
local terms energy: -73.501505
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -186.518195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.518195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.518195 (E_RNA)
where:
Base-Base interactions energy: -122.030
where: short stacking energy: -57.391
Base-Backbone interact. energy: -0.005
local terms energy: -64.483103
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -190.509818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.509818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.509818 (E_RNA)
where:
Base-Base interactions energy: -136.496
where: short stacking energy: -55.266
Base-Backbone interact. energy: -0.380
local terms energy: -53.634428
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -90.012211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.012211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.012211 (E_RNA)
where:
Base-Base interactions energy: -30.145
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.019
local terms energy: -59.848476
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -96.859901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.859901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.859901 (E_RNA)
where:
Base-Base interactions energy: -46.672
where: short stacking energy: -31.782
Base-Backbone interact. energy: -0.448
local terms energy: -49.739464
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -2.311
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: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -81.403490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.403490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.403490 (E_RNA)
where:
Base-Base interactions energy: -33.422
where: short stacking energy: -33.422
Base-Backbone interact. energy: -0.144
local terms energy: -47.836946
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -96.817072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.817072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.817072 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -39.239
Base-Backbone interact. energy: 0.270
local terms energy: -52.204533
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -222.304741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.304741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.304741 (E_RNA)
where:
Base-Base interactions energy: -145.561
where: short stacking energy: -70.287
Base-Backbone interact. energy: -0.008
local terms energy: -76.735321
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -222.402437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.402437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.402437 (E_RNA)
where:
Base-Base interactions energy: -149.717
where: short stacking energy: -69.198
Base-Backbone interact. energy: -0.002
local terms energy: -72.683006
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -224.905102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.905102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.905102 (E_RNA)
where:
Base-Base interactions energy: -150.864
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.012
local terms energy: -74.028802
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -188.315038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.315038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.315038 (E_RNA)
where:
Base-Base interactions energy: -123.776
where: short stacking energy: -60.942
Base-Backbone interact. energy: -0.015
local terms energy: -64.524195
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -217.717086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.717086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.717086 (E_RNA)
where:
Base-Base interactions energy: -146.605
where: short stacking energy: -77.681
Base-Backbone interact. energy: -0.066
local terms energy: -71.045210
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -8.621
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: 6, replica: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -174.786595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.786595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.786595 (E_RNA)
where:
Base-Base interactions energy: -121.555
where: short stacking energy: -39.902
Base-Backbone interact. energy: -0.223
local terms energy: -53.008327
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -8.937
flat angles P-C4'-P energy: -10.880
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: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -132.559758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.559758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.559758 (E_RNA)
where:
Base-Base interactions energy: -70.757
where: short stacking energy: -38.809
Base-Backbone interact. energy: -0.056
local terms energy: -61.746587
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -95.589894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.589894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.589894 (E_RNA)
where:
Base-Base interactions energy: -44.226
where: short stacking energy: -43.073
Base-Backbone interact. energy: -0.110
local terms energy: -51.253530
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -7.406
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -74.317933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.317933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.317933 (E_RNA)
where:
Base-Base interactions energy: -41.771
where: short stacking energy: -21.361
Base-Backbone interact. energy: 0.831
local terms energy: -33.377673
where:
bonds (distance) C4'-P energy: -2.701
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: 2.849
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: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -73.908966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.908966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.908966 (E_RNA)
where:
Base-Base interactions energy: -24.331
where: short stacking energy: -20.540
Base-Backbone interact. energy: -0.128
local terms energy: -49.449934
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: 2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -226.775232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.775232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.775232 (E_RNA)
where:
Base-Base interactions energy: -149.060
where: short stacking energy: -74.288
Base-Backbone interact. energy: -0.001
local terms energy: -77.713522
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.822
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: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -221.865746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.865746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.865746 (E_RNA)
where:
Base-Base interactions energy: -148.372
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.235
local terms energy: -73.258911
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -10.318
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: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -219.955227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.955227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.955227 (E_RNA)
where:
Base-Base interactions energy: -146.207
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.133
local terms energy: -73.616082
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -18.839
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: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -199.253045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.253045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.253045 (E_RNA)
where:
Base-Base interactions energy: -128.812
where: short stacking energy: -59.832
Base-Backbone interact. energy: -0.223
local terms energy: -70.217343
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -7.617
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: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -206.383166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.383166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.383166 (E_RNA)
where:
Base-Base interactions energy: -138.790
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.204
local terms energy: -67.388915
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -18.947
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: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -159.868188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.868188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.868188 (E_RNA)
where:
Base-Base interactions energy: -110.973
where: short stacking energy: -40.056
Base-Backbone interact. energy: -0.841
local terms energy: -48.053710
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -98.868093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.868093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.868093 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -39.669
Base-Backbone interact. energy: -0.676
local terms energy: -58.522718
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -128.497633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.497633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.497633 (E_RNA)
where:
Base-Base interactions energy: -75.756
where: short stacking energy: -40.409
Base-Backbone interact. energy: -0.062
local terms energy: -52.679879
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -5.206
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: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -81.136487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.136487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.136487 (E_RNA)
where:
Base-Base interactions energy: -39.271
where: short stacking energy: -33.099
Base-Backbone interact. energy: -0.077
local terms energy: -41.788288
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: 0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -94.822715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.822715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.822715 (E_RNA)
where:
Base-Base interactions energy: -37.926
where: short stacking energy: -37.926
Base-Backbone interact. energy: -0.482
local terms energy: -56.415307
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -226.139653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.139653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.139653 (E_RNA)
where:
Base-Base interactions energy: -147.356
where: short stacking energy: -75.110
Base-Backbone interact. energy: -0.040
local terms energy: -78.743608
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -14.167
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: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -221.017141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.017141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.017141 (E_RNA)
where:
Base-Base interactions energy: -149.112
where: short stacking energy: -68.192
Base-Backbone interact. energy: -0.097
local terms energy: -71.808502
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -219.959118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.959118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.959118 (E_RNA)
where:
Base-Base interactions energy: -149.754
where: short stacking energy: -74.081
Base-Backbone interact. energy: -0.002
local terms energy: -70.203443
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -21.765
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: 427
Temperature: 1.050000
Total energy: -201.603933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.603933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.603933 (E_RNA)
where:
Base-Base interactions energy: -129.178
where: short stacking energy: -49.786
Base-Backbone interact. energy: -1.459
local terms energy: -70.966658
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -195.210435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.210435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.210435 (E_RNA)
where:
Base-Base interactions energy: -126.386
where: short stacking energy: -63.545
Base-Backbone interact. energy: -0.043
local terms energy: -68.780853
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -115.856804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.856804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.856804 (E_RNA)
where:
Base-Base interactions energy: -58.923
where: short stacking energy: -44.996
Base-Backbone interact. energy: -0.494
local terms energy: -56.439561
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -10.624
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: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -119.686615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.686615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.686615 (E_RNA)
where:
Base-Base interactions energy: -64.882
where: short stacking energy: -40.003
Base-Backbone interact. energy: -0.136
local terms energy: -54.668863
where:
bonds (distance) C4'-P energy: -4.514
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.031
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: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -119.216733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.216733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.216733 (E_RNA)
where:
Base-Base interactions energy: -72.714
where: short stacking energy: -39.100
Base-Backbone interact. energy: -0.429
local terms energy: -46.074226
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -8.528
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -7.977
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: 427
Temperature: 1.300000
Total energy: -81.018401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.018401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.018401 (E_RNA)
where:
Base-Base interactions energy: -26.943
where: short stacking energy: -15.447
Base-Backbone interact. energy: -0.334
local terms energy: -53.741897
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -3.682
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: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -78.564787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564787 (E_RNA)
where:
Base-Base interactions energy: -29.941
where: short stacking energy: -28.138
Base-Backbone interact. energy: -1.590
local terms energy: -47.033776
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: 1.338
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: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -222.253221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.253221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.253221 (E_RNA)
where:
Base-Base interactions energy: -145.739
where: short stacking energy: -71.784
Base-Backbone interact. energy: -0.010
local terms energy: -76.504220
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -11.262
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: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -219.062548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.062548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.062548 (E_RNA)
where:
Base-Base interactions energy: -138.505
where: short stacking energy: -72.359
Base-Backbone interact. energy: -0.676
local terms energy: -79.881418
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -23.531
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: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -218.881692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.881692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.881692 (E_RNA)
where:
Base-Base interactions energy: -147.042
where: short stacking energy: -71.050
Base-Backbone interact. energy: -0.949
local terms energy: -70.891631
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -192.142090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.142090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.142090 (E_RNA)
where:
Base-Base interactions energy: -133.650
where: short stacking energy: -67.616
Base-Backbone interact. energy: 1.464
local terms energy: -59.956475
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -196.043753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.043753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.043753 (E_RNA)
where:
Base-Base interactions energy: -129.879
where: short stacking energy: -70.052
Base-Backbone interact. energy: -0.220
local terms energy: -65.945202
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -17.122
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: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -110.559022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.559022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.559022 (E_RNA)
where:
Base-Base interactions energy: -49.035
where: short stacking energy: -30.379
Base-Backbone interact. energy: 0.080
local terms energy: -61.603805
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -5.331
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: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -139.610224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.610224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.610224 (E_RNA)
where:
Base-Base interactions energy: -86.026
where: short stacking energy: -35.791
Base-Backbone interact. energy: -0.994
local terms energy: -52.590883
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -8.924
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -4.993
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: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -90.372428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.372428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.372428 (E_RNA)
where:
Base-Base interactions energy: -39.646
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.111
local terms energy: -50.615270
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -104.735782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.735782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.735782 (E_RNA)
where:
Base-Base interactions energy: -44.445
where: short stacking energy: -33.718
Base-Backbone interact. energy: -0.110
local terms energy: -60.181483
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -4.178
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: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -79.103675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.103675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.103675 (E_RNA)
where:
Base-Base interactions energy: -37.331
where: short stacking energy: -29.802
Base-Backbone interact. energy: 0.775
local terms energy: -42.547611
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: 1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -227.095468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.095468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.095468 (E_RNA)
where:
Base-Base interactions energy: -144.035
where: short stacking energy: -69.286
Base-Backbone interact. energy: -0.001
local terms energy: -83.058980
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -14.475
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: 2, replica: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -234.023808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.023808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.023808 (E_RNA)
where:
Base-Base interactions energy: -155.249
where: short stacking energy: -77.986
Base-Backbone interact. energy: -0.016
local terms energy: -78.759061
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -11.134
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: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -223.364071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.364071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.364071 (E_RNA)
where:
Base-Base interactions energy: -140.837
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.732
local terms energy: -81.795683
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -213.435945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.435945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.435945 (E_RNA)
where:
Base-Base interactions energy: -136.506
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.017
local terms energy: -76.912754
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -12.832
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: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -182.069198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.069198 (E_RNA)
where:
Base-Base interactions energy: -125.469
where: short stacking energy: -53.133
Base-Backbone interact. energy: 0.489
local terms energy: -57.089443
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -142.588174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.588174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.588174 (E_RNA)
where:
Base-Base interactions energy: -89.413
where: short stacking energy: -46.523
Base-Backbone interact. energy: -1.071
local terms energy: -52.104491
where:
bonds (distance) C4'-P energy: -4.925
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -177.187125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.187125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.187125 (E_RNA)
where:
Base-Base interactions energy: -116.957
where: short stacking energy: -53.709
Base-Backbone interact. energy: -0.070
local terms energy: -60.159789
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -12.923
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: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -95.753358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.753358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.753358 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -34.870
Base-Backbone interact. energy: -0.091
local terms energy: -60.792897
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -8.404
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: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -81.438338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.438338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.438338 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -25.111
Base-Backbone interact. energy: -0.519
local terms energy: -54.446527
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -3.116
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: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -87.550985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.550985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.550985 (E_RNA)
where:
Base-Base interactions energy: -38.344
where: short stacking energy: -27.236
Base-Backbone interact. energy: -0.270
local terms energy: -48.937016
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -225.952867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.952867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.952867 (E_RNA)
where:
Base-Base interactions energy: -143.542
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.060
local terms energy: -82.351440
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -14.271
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: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -233.511333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.511333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.511333 (E_RNA)
where:
Base-Base interactions energy: -159.197
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.014
local terms energy: -74.301118
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -18.460
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: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -215.093994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.093994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.093994 (E_RNA)
where:
Base-Base interactions energy: -142.248
where: short stacking energy: -66.422
Base-Backbone interact. energy: -0.000
local terms energy: -72.845527
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -9.510
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: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -211.003443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.003443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.003443 (E_RNA)
where:
Base-Base interactions energy: -133.217
where: short stacking energy: -68.651
Base-Backbone interact. energy: -0.449
local terms energy: -77.337630
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -185.616017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.616017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.616017 (E_RNA)
where:
Base-Base interactions energy: -124.530
where: short stacking energy: -51.979
Base-Backbone interact. energy: -0.076
local terms energy: -61.009755
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -145.174371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.174371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.174371 (E_RNA)
where:
Base-Base interactions energy: -85.293
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.105
local terms energy: -59.775554
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -173.399809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.399809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.399809 (E_RNA)
where:
Base-Base interactions energy: -112.103
where: short stacking energy: -42.138
Base-Backbone interact. energy: -0.241
local terms energy: -61.055937
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -95.200204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.200204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.200204 (E_RNA)
where:
Base-Base interactions energy: -43.226
where: short stacking energy: -32.307
Base-Backbone interact. energy: -0.494
local terms energy: -51.480635
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -76.766573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.766573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.766573 (E_RNA)
where:
Base-Base interactions energy: -31.236
where: short stacking energy: -26.283
Base-Backbone interact. energy: -0.207
local terms energy: -45.324268
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -74.878426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.878426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.878426 (E_RNA)
where:
Base-Base interactions energy: -23.294
where: short stacking energy: -23.294
Base-Backbone interact. energy: -1.481
local terms energy: -50.103868
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -229.097049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.097049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.097049 (E_RNA)
where:
Base-Base interactions energy: -152.909
where: short stacking energy: -71.662
Base-Backbone interact. energy: -0.000
local terms energy: -76.188003
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -22.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -218.939948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.939948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.939948 (E_RNA)
where:
Base-Base interactions energy: -140.156
where: short stacking energy: -72.260
Base-Backbone interact. energy: -0.001
local terms energy: -78.782758
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -19.724
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: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -220.021222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.021222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.021222 (E_RNA)
where:
Base-Base interactions energy: -145.608
where: short stacking energy: -75.240
Base-Backbone interact. energy: -0.007
local terms energy: -74.406633
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -19.051
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: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -212.126552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.126552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.126552 (E_RNA)
where:
Base-Base interactions energy: -142.238
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.000
local terms energy: -69.888386
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -13.626
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: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -192.263314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.263314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.263314 (E_RNA)
where:
Base-Base interactions energy: -134.725
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.017
local terms energy: -57.521581
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -176.633623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.633623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.633623 (E_RNA)
where:
Base-Base interactions energy: -113.515
where: short stacking energy: -43.612
Base-Backbone interact. energy: -0.442
local terms energy: -62.676810
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -124.873478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.873478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.873478 (E_RNA)
where:
Base-Base interactions energy: -69.228
where: short stacking energy: -36.233
Base-Backbone interact. energy: -0.063
local terms energy: -55.582320
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -90.465373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.465373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.465373 (E_RNA)
where:
Base-Base interactions energy: -34.338
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.020
local terms energy: -56.107644
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -81.505018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.505018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.505018 (E_RNA)
where:
Base-Base interactions energy: -29.824
where: short stacking energy: -26.132
Base-Backbone interact. energy: -0.142
local terms energy: -51.538617
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -5.353
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: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -81.098867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.098867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.098867 (E_RNA)
where:
Base-Base interactions energy: -31.895
where: short stacking energy: -31.895
Base-Backbone interact. energy: -0.046
local terms energy: -49.157744
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -9.711
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: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -235.104102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.104102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.104102 (E_RNA)
where:
Base-Base interactions energy: -152.062
where: short stacking energy: -74.984
Base-Backbone interact. energy: -0.039
local terms energy: -83.002583
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -224.911844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.911844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.911844 (E_RNA)
where:
Base-Base interactions energy: -143.907
where: short stacking energy: -71.540
Base-Backbone interact. energy: 0.002
local terms energy: -81.007653
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -223.914127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.914127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.914127 (E_RNA)
where:
Base-Base interactions energy: -148.204
where: short stacking energy: -76.806
Base-Backbone interact. energy: -0.044
local terms energy: -75.666561
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -22.249
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: 432
Temperature: 1.050000
Total energy: -223.713639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.713639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.713639 (E_RNA)
where:
Base-Base interactions energy: -145.319
where: short stacking energy: -67.628
Base-Backbone interact. energy: -0.006
local terms energy: -78.388917
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -188.959549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.959549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.959549 (E_RNA)
where:
Base-Base interactions energy: -122.268
where: short stacking energy: -61.839
Base-Backbone interact. energy: -0.002
local terms energy: -66.689277
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -186.146133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.146133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.146133 (E_RNA)
where:
Base-Base interactions energy: -124.743
where: short stacking energy: -52.976
Base-Backbone interact. energy: -0.503
local terms energy: -60.899694
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -10.908
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: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -143.020534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.020534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.020534 (E_RNA)
where:
Base-Base interactions energy: -86.847
where: short stacking energy: -48.690
Base-Backbone interact. energy: -0.118
local terms energy: -56.055619
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -86.028026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028026 (E_RNA)
where:
Base-Base interactions energy: -41.122
where: short stacking energy: -39.810
Base-Backbone interact. energy: -0.151
local terms energy: -44.754555
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -6.614
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -86.053560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053560 (E_RNA)
where:
Base-Base interactions energy: -53.847
where: short stacking energy: -38.451
Base-Backbone interact. energy: -0.259
local terms energy: -31.948141
where:
bonds (distance) C4'-P energy: 2.197
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -4.513
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: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -71.971699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.971699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.971699 (E_RNA)
where:
Base-Base interactions energy: -29.375
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.112
local terms energy: -42.484907
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -5.667
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -226.070626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.070626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.070626 (E_RNA)
where:
Base-Base interactions energy: -150.051
where: short stacking energy: -73.223
Base-Backbone interact. energy: -0.093
local terms energy: -75.926962
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -224.662530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.662530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.662530 (E_RNA)
where:
Base-Base interactions energy: -147.672
where: short stacking energy: -71.691
Base-Backbone interact. energy: -0.832
local terms energy: -76.158196
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -19.825
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: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -213.682389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.682389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.682389 (E_RNA)
where:
Base-Base interactions energy: -137.780
where: short stacking energy: -67.961
Base-Backbone interact. energy: -0.008
local terms energy: -75.894732
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -214.430004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.430004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.430004 (E_RNA)
where:
Base-Base interactions energy: -135.679
where: short stacking energy: -68.463
Base-Backbone interact. energy: -0.702
local terms energy: -78.049152
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -196.496107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.496107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.496107 (E_RNA)
where:
Base-Base interactions energy: -128.453
where: short stacking energy: -64.581
Base-Backbone interact. energy: 0.366
local terms energy: -68.408940
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -12.874
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: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -164.673049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.673049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.673049 (E_RNA)
where:
Base-Base interactions energy: -105.138
where: short stacking energy: -42.097
Base-Backbone interact. energy: -0.365
local terms energy: -59.170026
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -133.611793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.611793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.611793 (E_RNA)
where:
Base-Base interactions energy: -78.033
where: short stacking energy: -42.669
Base-Backbone interact. energy: 1.544
local terms energy: -57.122424
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -86.167741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.167741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.167741 (E_RNA)
where:
Base-Base interactions energy: -30.087
where: short stacking energy: -30.087
Base-Backbone interact. energy: -0.144
local terms energy: -55.936645
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -7.476
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -88.388881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.388881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.388881 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -25.097
Base-Backbone interact. energy: -0.921
local terms energy: -47.199768
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -82.077419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.077419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.077419 (E_RNA)
where:
Base-Base interactions energy: -36.973
where: short stacking energy: -36.973
Base-Backbone interact. energy: -0.276
local terms energy: -44.828487
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -8.697
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -229.543839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.543839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.543839 (E_RNA)
where:
Base-Base interactions energy: -149.768
where: short stacking energy: -75.849
Base-Backbone interact. energy: -0.623
local terms energy: -79.152425
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -220.392573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.392573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.392573 (E_RNA)
where:
Base-Base interactions energy: -144.867
where: short stacking energy: -69.670
Base-Backbone interact. energy: -0.013
local terms energy: -75.512522
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -208.641582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.641582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.641582 (E_RNA)
where:
Base-Base interactions energy: -144.875
where: short stacking energy: -67.588
Base-Backbone interact. energy: -0.023
local terms energy: -63.743290
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -204.534892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.534892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.534892 (E_RNA)
where:
Base-Base interactions energy: -128.437
where: short stacking energy: -63.003
Base-Backbone interact. energy: -0.014
local terms energy: -76.084270
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -191.045806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.045806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.045806 (E_RNA)
where:
Base-Base interactions energy: -123.598
where: short stacking energy: -59.808
Base-Backbone interact. energy: 0.650
local terms energy: -68.097146
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -12.443
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: 434
Temperature: 1.150000
Total energy: -176.754098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.754098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.754098 (E_RNA)
where:
Base-Base interactions energy: -112.336
where: short stacking energy: -52.933
Base-Backbone interact. energy: -0.470
local terms energy: -63.947793
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -12.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -137.515380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.515380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.515380 (E_RNA)
where:
Base-Base interactions energy: -75.122
where: short stacking energy: -40.773
Base-Backbone interact. energy: 0.654
local terms energy: -63.047613
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -11.718
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: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -84.535118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.535118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.535118 (E_RNA)
where:
Base-Base interactions energy: -36.027
where: short stacking energy: -32.084
Base-Backbone interact. energy: -0.185
local terms energy: -48.323446
where:
bonds (distance) C4'-P energy: -4.899
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -69.164713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.164713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.164713 (E_RNA)
where:
Base-Base interactions energy: -24.639
where: short stacking energy: -22.178
Base-Backbone interact. energy: -0.307
local terms energy: -44.217925
where:
bonds (distance) C4'-P energy: -6.334
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -84.327072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.327072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.327072 (E_RNA)
where:
Base-Base interactions energy: -34.587
where: short stacking energy: -34.441
Base-Backbone interact. energy: -0.146
local terms energy: -49.594674
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -4.601
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: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -231.152139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.152139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.152139 (E_RNA)
where:
Base-Base interactions energy: -154.752
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.036
local terms energy: -76.364486
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -21.044
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: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -224.697757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.697757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.697757 (E_RNA)
where:
Base-Base interactions energy: -144.885
where: short stacking energy: -74.812
Base-Backbone interact. energy: -0.239
local terms energy: -79.573728
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -213.970320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.970320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.970320 (E_RNA)
where:
Base-Base interactions energy: -133.263
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.304
local terms energy: -80.403601
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -21.301
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: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -198.527274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.527274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.527274 (E_RNA)
where:
Base-Base interactions energy: -132.326
where: short stacking energy: -64.016
Base-Backbone interact. energy: 0.192
local terms energy: -66.393285
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -12.265
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: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -190.076749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.076749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.076749 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -60.749
Base-Backbone interact. energy: -0.522
local terms energy: -59.068932
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -141.218890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.218890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.218890 (E_RNA)
where:
Base-Base interactions energy: -79.136
where: short stacking energy: -43.287
Base-Backbone interact. energy: -0.088
local terms energy: -61.995652
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -166.719190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.719190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.719190 (E_RNA)
where:
Base-Base interactions energy: -106.633
where: short stacking energy: -53.555
Base-Backbone interact. energy: -0.031
local terms energy: -60.054768
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -12.132
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: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -82.230981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.230981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.230981 (E_RNA)
where:
Base-Base interactions energy: -25.644
where: short stacking energy: -25.644
Base-Backbone interact. energy: 0.953
local terms energy: -57.539612
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -84.849962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.849962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.849962 (E_RNA)
where:
Base-Base interactions energy: -38.928
where: short stacking energy: -22.335
Base-Backbone interact. energy: -0.126
local terms energy: -45.796259
where:
bonds (distance) C4'-P energy: -8.815
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -107.664872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.664872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.664872 (E_RNA)
where:
Base-Base interactions energy: -55.659
where: short stacking energy: -31.285
Base-Backbone interact. energy: -0.201
local terms energy: -51.804283
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -230.337477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.337477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.337477 (E_RNA)
where:
Base-Base interactions energy: -150.826
where: short stacking energy: -73.513
Base-Backbone interact. energy: -0.805
local terms energy: -78.706646
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -220.353994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.353994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.353994 (E_RNA)
where:
Base-Base interactions energy: -145.396
where: short stacking energy: -73.970
Base-Backbone interact. energy: -0.062
local terms energy: -74.895160
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -11.252
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: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -219.486078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.486078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.486078 (E_RNA)
where:
Base-Base interactions energy: -146.825
where: short stacking energy: -70.888
Base-Backbone interact. energy: -0.132
local terms energy: -72.529248
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -189.173346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.173346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.173346 (E_RNA)
where:
Base-Base interactions energy: -125.218
where: short stacking energy: -61.921
Base-Backbone interact. energy: -0.059
local terms energy: -63.896612
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -14.925
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: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -206.015702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.015702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.015702 (E_RNA)
where:
Base-Base interactions energy: -133.476
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.082
local terms energy: -72.457582
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -20.838
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: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -136.425121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.425121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.425121 (E_RNA)
where:
Base-Base interactions energy: -83.690
where: short stacking energy: -43.777
Base-Backbone interact. energy: -0.311
local terms energy: -52.424566
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -6.888
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: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -169.143032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.143032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.143032 (E_RNA)
where:
Base-Base interactions energy: -107.235
where: short stacking energy: -42.524
Base-Backbone interact. energy: 0.829
local terms energy: -62.737894
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -90.572644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572644 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -37.051
Base-Backbone interact. energy: -0.167
local terms energy: -53.562498
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -102.947699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.947699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.947699 (E_RNA)
where:
Base-Base interactions energy: -57.666
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.036
local terms energy: -45.246133
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: 0.326
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: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -90.321434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.321434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.321434 (E_RNA)
where:
Base-Base interactions energy: -31.545
where: short stacking energy: -31.545
Base-Backbone interact. energy: 1.507
local terms energy: -60.283364
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -230.326402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.326402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.326402 (E_RNA)
where:
Base-Base interactions energy: -154.132
where: short stacking energy: -73.207
Base-Backbone interact. energy: -0.003
local terms energy: -76.191504
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -20.497
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: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -228.905942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.905942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.905942 (E_RNA)
where:
Base-Base interactions energy: -152.986
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.674
local terms energy: -75.246138
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -224.223794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.223794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.223794 (E_RNA)
where:
Base-Base interactions energy: -147.668
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.091
local terms energy: -76.464327
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -9.225
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: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -195.740126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.740126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.740126 (E_RNA)
where:
Base-Base interactions energy: -125.751
where: short stacking energy: -67.584
Base-Backbone interact. energy: -0.089
local terms energy: -69.899619
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -10.828
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: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -180.677023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.677023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.677023 (E_RNA)
where:
Base-Base interactions energy: -111.604
where: short stacking energy: -52.677
Base-Backbone interact. energy: 0.328
local terms energy: -69.400824
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -179.039605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.039605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.039605 (E_RNA)
where:
Base-Base interactions energy: -111.282
where: short stacking energy: -58.430
Base-Backbone interact. energy: -0.585
local terms energy: -67.173001
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -131.398531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.398531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.398531 (E_RNA)
where:
Base-Base interactions energy: -81.307
where: short stacking energy: -50.227
Base-Backbone interact. energy: -0.155
local terms energy: -49.936856
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -1.453
tors. eta vs tors. theta energy: -6.670
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: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -84.354891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.354891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.354891 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -29.172
Base-Backbone interact. energy: -0.053
local terms energy: -47.513087
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -6.754
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: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -90.582880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.582880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.582880 (E_RNA)
where:
Base-Base interactions energy: -42.137
where: short stacking energy: -38.926
Base-Backbone interact. energy: 1.646
local terms energy: -50.092151
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -4.017
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: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -80.579837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.579837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.579837 (E_RNA)
where:
Base-Base interactions energy: -39.316
where: short stacking energy: -24.200
Base-Backbone interact. energy: -0.475
local terms energy: -40.788941
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: 4.010
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: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -231.530086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.530086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.530086 (E_RNA)
where:
Base-Base interactions energy: -153.415
where: short stacking energy: -75.670
Base-Backbone interact. energy: -0.009
local terms energy: -78.106263
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.097
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: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -232.049566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.049566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.049566 (E_RNA)
where:
Base-Base interactions energy: -160.387
where: short stacking energy: -72.028
Base-Backbone interact. energy: -0.134
local terms energy: -71.528711
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -218.250930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.250930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.250930 (E_RNA)
where:
Base-Base interactions energy: -147.895
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.023
local terms energy: -70.333309
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -4.890
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: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -198.885294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.885294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.885294 (E_RNA)
where:
Base-Base interactions energy: -132.829
where: short stacking energy: -68.820
Base-Backbone interact. energy: -0.832
local terms energy: -65.223897
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -9.044
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -8.946
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: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -181.876319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.876319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.876319 (E_RNA)
where:
Base-Base interactions energy: -117.768
where: short stacking energy: -54.822
Base-Backbone interact. energy: -0.005
local terms energy: -64.103405
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -7.350
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -179.376362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.376362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.376362 (E_RNA)
where:
Base-Base interactions energy: -114.907
where: short stacking energy: -55.058
Base-Backbone interact. energy: -0.104
local terms energy: -64.365478
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -7.780
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: 438
Temperature: 1.200000
Total energy: -131.212575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.212575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.212575 (E_RNA)
where:
Base-Base interactions energy: -74.581
where: short stacking energy: -42.713
Base-Backbone interact. energy: -0.362
local terms energy: -56.269336
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -103.812939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.812939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.812939 (E_RNA)
where:
Base-Base interactions energy: -50.040
where: short stacking energy: -23.348
Base-Backbone interact. energy: -0.081
local terms energy: -53.691936
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -3.837
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: 438
Temperature: 1.300000
Total energy: -79.199004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.199004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.199004 (E_RNA)
where:
Base-Base interactions energy: -36.943
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.196
local terms energy: -42.059325
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: 0.167
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: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -78.385722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.385722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.385722 (E_RNA)
where:
Base-Base interactions energy: -32.995
where: short stacking energy: -22.872
Base-Backbone interact. energy: 0.018
local terms energy: -45.408123
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -230.434119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.434119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.434119 (E_RNA)
where:
Base-Base interactions energy: -154.363
where: short stacking energy: -76.249
Base-Backbone interact. energy: -0.002
local terms energy: -76.069457
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -223.886297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.886297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.886297 (E_RNA)
where:
Base-Base interactions energy: -141.260
where: short stacking energy: -66.130
Base-Backbone interact. energy: -0.267
local terms energy: -82.358983
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -21.297
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: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -224.957547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.957547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.957547 (E_RNA)
where:
Base-Base interactions energy: -147.775
where: short stacking energy: -68.307
Base-Backbone interact. energy: -0.167
local terms energy: -77.016316
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -11.723
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: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -190.950989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.950989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.950989 (E_RNA)
where:
Base-Base interactions energy: -123.379
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.012
local terms energy: -67.560081
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -205.787781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.787781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.787781 (E_RNA)
where:
Base-Base interactions energy: -132.680
where: short stacking energy: -65.939
Base-Backbone interact. energy: -0.013
local terms energy: -73.094383
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -172.458539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.458539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.458539 (E_RNA)
where:
Base-Base interactions energy: -110.098
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.062
local terms energy: -62.298247
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -15.146
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: 439
Temperature: 1.200000
Total energy: -132.671352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.671352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.671352 (E_RNA)
where:
Base-Base interactions energy: -72.674
where: short stacking energy: -42.655
Base-Backbone interact. energy: -0.003
local terms energy: -59.993687
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -95.662628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.662628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.662628 (E_RNA)
where:
Base-Base interactions energy: -47.788
where: short stacking energy: -32.411
Base-Backbone interact. energy: -0.356
local terms energy: -47.518681
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -5.025
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -3.386
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: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -76.964066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.964066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.964066 (E_RNA)
where:
Base-Base interactions energy: -30.924
where: short stacking energy: -21.712
Base-Backbone interact. energy: -0.118
local terms energy: -45.921812
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -0.037
tors. eta vs tors. theta energy: -2.498
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: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -76.786429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.786429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.786429 (E_RNA)
where:
Base-Base interactions energy: -37.636
where: short stacking energy: -35.799
Base-Backbone interact. energy: -0.303
local terms energy: -38.847877
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -234.001515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.001515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.001515 (E_RNA)
where:
Base-Base interactions energy: -155.395
where: short stacking energy: -78.677
Base-Backbone interact. energy: -0.002
local terms energy: -78.605126
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -225.412539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.412539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.412539 (E_RNA)
where:
Base-Base interactions energy: -152.462
where: short stacking energy: -69.969
Base-Backbone interact. energy: -0.049
local terms energy: -72.901953
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -11.474
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: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -220.537530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.537530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.537530 (E_RNA)
where:
Base-Base interactions energy: -148.536
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.001
local terms energy: -72.001040
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -190.650962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.650962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.650962 (E_RNA)
where:
Base-Base interactions energy: -122.726
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.062
local terms energy: -67.862868
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -192.114765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.114765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.114765 (E_RNA)
where:
Base-Base interactions energy: -116.538
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.003
local terms energy: -75.574149
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -20.476
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: 440
Temperature: 1.150000
Total energy: -180.830354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.830354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.830354 (E_RNA)
where:
Base-Base interactions energy: -118.006
where: short stacking energy: -50.499
Base-Backbone interact. energy: -0.464
local terms energy: -62.360643
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -122.299362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.299362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.299362 (E_RNA)
where:
Base-Base interactions energy: -72.609
where: short stacking energy: -42.104
Base-Backbone interact. energy: -0.753
local terms energy: -48.937694
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -4.642
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -6.940
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: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -85.366326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.366326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.366326 (E_RNA)
where:
Base-Base interactions energy: -36.852
where: short stacking energy: -32.456
Base-Backbone interact. energy: 0.051
local terms energy: -48.565216
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -3.517
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: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -76.150047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.150047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.150047 (E_RNA)
where:
Base-Base interactions energy: -35.325
where: short stacking energy: -17.244
Base-Backbone interact. energy: -0.279
local terms energy: -40.546306
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -7.128
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -0.231
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: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -72.826622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.826622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.826622 (E_RNA)
where:
Base-Base interactions energy: -27.768
where: short stacking energy: -17.850
Base-Backbone interact. energy: -0.187
local terms energy: -44.871581
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: 3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -230.986207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.986207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.986207 (E_RNA)
where:
Base-Base interactions energy: -153.762
where: short stacking energy: -74.270
Base-Backbone interact. energy: -0.008
local terms energy: -77.216429
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -223.685922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.685922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.685922 (E_RNA)
where:
Base-Base interactions energy: -144.166
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.069
local terms energy: -79.450694
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -217.273166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.273166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.273166 (E_RNA)
where:
Base-Base interactions energy: -147.642
where: short stacking energy: -70.908
Base-Backbone interact. energy: -0.478
local terms energy: -69.153268
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -178.943177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.943177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.943177 (E_RNA)
where:
Base-Base interactions energy: -122.099
where: short stacking energy: -50.642
Base-Backbone interact. energy: -0.059
local terms energy: -56.784985
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -196.429346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.429346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.429346 (E_RNA)
where:
Base-Base interactions energy: -120.851
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.077
local terms energy: -75.501148
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -18.334
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: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -192.850341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.850341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.850341 (E_RNA)
where:
Base-Base interactions energy: -123.756
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.613
local terms energy: -68.481105
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -8.237
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -145.985470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.985470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.985470 (E_RNA)
where:
Base-Base interactions energy: -91.622
where: short stacking energy: -47.358
Base-Backbone interact. energy: -0.120
local terms energy: -54.243481
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -10.810
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: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -104.576036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.576036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.576036 (E_RNA)
where:
Base-Base interactions energy: -47.008
where: short stacking energy: -27.563
Base-Backbone interact. energy: -0.933
local terms energy: -56.634444
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: 0.701
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: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -81.992077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.992077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.992077 (E_RNA)
where:
Base-Base interactions energy: -36.170
where: short stacking energy: -30.340
Base-Backbone interact. energy: -0.373
local terms energy: -45.448307
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -87.524216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.524216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.524216 (E_RNA)
where:
Base-Base interactions energy: -31.566
where: short stacking energy: -28.354
Base-Backbone interact. energy: -0.011
local terms energy: -55.947816
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -225.394932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.394932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.394932 (E_RNA)
where:
Base-Base interactions energy: -140.765
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.004
local terms energy: -84.625445
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -21.047
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: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -229.033793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.033793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.033793 (E_RNA)
where:
Base-Base interactions energy: -144.069
where: short stacking energy: -66.965
Base-Backbone interact. energy: -0.075
local terms energy: -84.889664
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -13.628
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: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -214.613369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.613369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.613369 (E_RNA)
where:
Base-Base interactions energy: -149.424
where: short stacking energy: -68.898
Base-Backbone interact. energy: -0.188
local terms energy: -65.001198
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -176.741185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.741185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.741185 (E_RNA)
where:
Base-Base interactions energy: -115.736
where: short stacking energy: -52.552
Base-Backbone interact. energy: -0.194
local terms energy: -60.811355
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -7.242
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: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -195.897209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.897209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.897209 (E_RNA)
where:
Base-Base interactions energy: -119.316
where: short stacking energy: -57.906
Base-Backbone interact. energy: -0.045
local terms energy: -76.535582
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -183.768925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.768925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.768925 (E_RNA)
where:
Base-Base interactions energy: -112.034
where: short stacking energy: -61.050
Base-Backbone interact. energy: -0.056
local terms energy: -71.678953
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -90.740748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.740748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.740748 (E_RNA)
where:
Base-Base interactions energy: -46.132
where: short stacking energy: -41.081
Base-Backbone interact. energy: -0.018
local terms energy: -44.590485
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -3.581
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: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -113.405925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.405925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.405925 (E_RNA)
where:
Base-Base interactions energy: -65.862
where: short stacking energy: -36.783
Base-Backbone interact. energy: -0.199
local terms energy: -47.345026
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -2.352
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: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -83.498516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.498516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.498516 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -30.708
Base-Backbone interact. energy: -0.150
local terms energy: -46.673699
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: 0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -84.459430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.459430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.459430 (E_RNA)
where:
Base-Base interactions energy: -40.546
where: short stacking energy: -36.828
Base-Backbone interact. energy: -0.025
local terms energy: -43.888432
where:
bonds (distance) C4'-P energy: -8.510
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -8.538
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: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -226.550039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.550039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.550039 (E_RNA)
where:
Base-Base interactions energy: -149.182
where: short stacking energy: -67.393
Base-Backbone interact. energy: -0.002
local terms energy: -77.365785
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -10.144
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: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -225.489730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.489730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.489730 (E_RNA)
where:
Base-Base interactions energy: -147.514
where: short stacking energy: -75.015
Base-Backbone interact. energy: -0.050
local terms energy: -77.925737
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -219.196166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.196166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.196166 (E_RNA)
where:
Base-Base interactions energy: -147.254
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.011
local terms energy: -71.931345
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -206.289377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.289377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.289377 (E_RNA)
where:
Base-Base interactions energy: -134.592
where: short stacking energy: -73.250
Base-Backbone interact. energy: -0.001
local terms energy: -71.696803
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -189.156471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.156471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.156471 (E_RNA)
where:
Base-Base interactions energy: -133.184
where: short stacking energy: -52.569
Base-Backbone interact. energy: 0.762
local terms energy: -56.734797
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -10.166
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: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -182.077974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.077974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.077974 (E_RNA)
where:
Base-Base interactions energy: -121.245
where: short stacking energy: -57.444
Base-Backbone interact. energy: -0.026
local terms energy: -60.807145
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -14.363
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: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -97.113703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113703 (E_RNA)
where:
Base-Base interactions energy: -53.485
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.133
local terms energy: -43.495865
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -1.749
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: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -120.265354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.265354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.265354 (E_RNA)
where:
Base-Base interactions energy: -68.785
where: short stacking energy: -37.323
Base-Backbone interact. energy: -0.067
local terms energy: -51.412958
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -87.646155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.646155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.646155 (E_RNA)
where:
Base-Base interactions energy: -43.402
where: short stacking energy: -37.381
Base-Backbone interact. energy: -0.140
local terms energy: -44.103990
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -77.012667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.012667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.012667 (E_RNA)
where:
Base-Base interactions energy: -30.115
where: short stacking energy: -29.410
Base-Backbone interact. energy: 0.087
local terms energy: -46.984437
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -8.720
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: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -226.076557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.076557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.076557 (E_RNA)
where:
Base-Base interactions energy: -155.350
where: short stacking energy: -77.980
Base-Backbone interact. energy: -0.300
local terms energy: -70.426728
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -8.982
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: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -231.326118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.326118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.326118 (E_RNA)
where:
Base-Base interactions energy: -151.207
where: short stacking energy: -71.150
Base-Backbone interact. energy: -0.949
local terms energy: -79.170186
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -9.438
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: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -212.193776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.193776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.193776 (E_RNA)
where:
Base-Base interactions energy: -135.762
where: short stacking energy: -70.079
Base-Backbone interact. energy: -0.000
local terms energy: -76.431125
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -213.153321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.153321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.153321 (E_RNA)
where:
Base-Base interactions energy: -137.992
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.002
local terms energy: -75.159362
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -9.096
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: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -180.961116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.961116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.961116 (E_RNA)
where:
Base-Base interactions energy: -116.737
where: short stacking energy: -56.430
Base-Backbone interact. energy: -0.121
local terms energy: -64.103347
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -181.899027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.899027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.899027 (E_RNA)
where:
Base-Base interactions energy: -123.343
where: short stacking energy: -51.472
Base-Backbone interact. energy: -0.387
local terms energy: -58.169248
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -136.576868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.576868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.576868 (E_RNA)
where:
Base-Base interactions energy: -81.624
where: short stacking energy: -40.939
Base-Backbone interact. energy: -0.030
local terms energy: -54.922369
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -86.427874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.427874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.427874 (E_RNA)
where:
Base-Base interactions energy: -44.508
where: short stacking energy: -21.733
Base-Backbone interact. energy: 0.863
local terms energy: -42.783591
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -94.964184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.964184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.964184 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -35.780
Base-Backbone interact. energy: 0.082
local terms energy: -56.243491
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -1.279
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: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -86.875343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.875343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.875343 (E_RNA)
where:
Base-Base interactions energy: -45.679
where: short stacking energy: -38.659
Base-Backbone interact. energy: 0.481
local terms energy: -41.678276
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -6.584
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -235.632865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.632865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.632865 (E_RNA)
where:
Base-Base interactions energy: -153.640
where: short stacking energy: -75.821
Base-Backbone interact. energy: -0.001
local terms energy: -81.991813
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -22.571
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: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -218.134151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.134151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.134151 (E_RNA)
where:
Base-Base interactions energy: -145.190
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.636
local terms energy: -72.308457
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -19.914
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: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -217.294244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.294244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.294244 (E_RNA)
where:
Base-Base interactions energy: -146.681
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.042
local terms energy: -70.571120
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -217.350235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.350235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.350235 (E_RNA)
where:
Base-Base interactions energy: -151.762
where: short stacking energy: -73.244
Base-Backbone interact. energy: -0.490
local terms energy: -65.098450
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -152.026625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.026625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.026625 (E_RNA)
where:
Base-Base interactions energy: -88.426
where: short stacking energy: -53.551
Base-Backbone interact. energy: 0.405
local terms energy: -64.006577
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -12.485
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: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -175.378158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.378158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.378158 (E_RNA)
where:
Base-Base interactions energy: -118.942
where: short stacking energy: -54.988
Base-Backbone interact. energy: -0.164
local terms energy: -56.272221
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -151.445935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.445935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.445935 (E_RNA)
where:
Base-Base interactions energy: -87.280
where: short stacking energy: -37.707
Base-Backbone interact. energy: -2.338
local terms energy: -61.828615
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -6.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -122.352202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.352202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.352202 (E_RNA)
where:
Base-Base interactions energy: -68.770
where: short stacking energy: -41.717
Base-Backbone interact. energy: -0.106
local terms energy: -53.475793
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -6.921
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: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -72.703353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.703353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.703353 (E_RNA)
where:
Base-Base interactions energy: -32.522
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.123
local terms energy: -40.058951
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -6.093
flat angles P-C4'-P energy: -9.463
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: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -82.593846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.593846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.593846 (E_RNA)
where:
Base-Base interactions energy: -25.172
where: short stacking energy: -25.172
Base-Backbone interact. energy: -0.180
local terms energy: -57.241127
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -8.600
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: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -228.976477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.976477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.976477 (E_RNA)
where:
Base-Base interactions energy: -153.959
where: short stacking energy: -70.160
Base-Backbone interact. energy: -0.002
local terms energy: -75.015745
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -223.796916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.796916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.796916 (E_RNA)
where:
Base-Base interactions energy: -144.426
where: short stacking energy: -66.996
Base-Backbone interact. energy: -0.002
local terms energy: -79.368688
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -227.105073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.105073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.105073 (E_RNA)
where:
Base-Base interactions energy: -146.324
where: short stacking energy: -67.576
Base-Backbone interact. energy: -0.175
local terms energy: -80.606050
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -10.380
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: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -204.026634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.026634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.026634 (E_RNA)
where:
Base-Base interactions energy: -128.596
where: short stacking energy: -66.694
Base-Backbone interact. energy: -0.199
local terms energy: -75.231692
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -19.526
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: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -169.819124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.819124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.819124 (E_RNA)
where:
Base-Base interactions energy: -109.459
where: short stacking energy: -43.288
Base-Backbone interact. energy: -0.274
local terms energy: -60.085388
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -6.546
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: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -179.081297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.081297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.081297 (E_RNA)
where:
Base-Base interactions energy: -120.081
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.086
local terms energy: -58.914707
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -14.389
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: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -133.255190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.255190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.255190 (E_RNA)
where:
Base-Base interactions energy: -75.034
where: short stacking energy: -37.628
Base-Backbone interact. energy: -0.004
local terms energy: -58.216806
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -88.559465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.559465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.559465 (E_RNA)
where:
Base-Base interactions energy: -36.048
where: short stacking energy: -34.592
Base-Backbone interact. energy: -0.028
local terms energy: -52.484073
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -4.778
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: 446
Temperature: 1.300000
Total energy: -76.693499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.693499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.693499 (E_RNA)
where:
Base-Base interactions energy: -22.639
where: short stacking energy: -13.100
Base-Backbone interact. energy: 1.109
local terms energy: -55.164084
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -75.672517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.672517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.672517 (E_RNA)
where:
Base-Base interactions energy: -38.792
where: short stacking energy: -20.801
Base-Backbone interact. energy: -0.412
local terms energy: -36.469241
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: 3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -232.433107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.433107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.433107 (E_RNA)
where:
Base-Base interactions energy: -155.394
where: short stacking energy: -76.356
Base-Backbone interact. energy: 0.455
local terms energy: -77.494371
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -9.239
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: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -223.679052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.679052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.679052 (E_RNA)
where:
Base-Base interactions energy: -145.712
where: short stacking energy: -74.076
Base-Backbone interact. energy: -0.106
local terms energy: -77.861611
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -210.377376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.377376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.377376 (E_RNA)
where:
Base-Base interactions energy: -132.402
where: short stacking energy: -65.900
Base-Backbone interact. energy: -0.118
local terms energy: -77.857938
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -20.894
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: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -213.670770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.670770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.670770 (E_RNA)
where:
Base-Base interactions energy: -132.548
where: short stacking energy: -73.121
Base-Backbone interact. energy: -0.016
local terms energy: -81.105935
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -11.851
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: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -180.720740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.720740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.720740 (E_RNA)
where:
Base-Base interactions energy: -121.576
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.008
local terms energy: -59.137235
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -8.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -173.227830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.227830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.227830 (E_RNA)
where:
Base-Base interactions energy: -115.947
where: short stacking energy: -50.332
Base-Backbone interact. energy: -0.191
local terms energy: -57.089772
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -149.301688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.301688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.301688 (E_RNA)
where:
Base-Base interactions energy: -80.675
where: short stacking energy: -47.843
Base-Backbone interact. energy: -0.110
local terms energy: -68.516314
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -83.668151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.668151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.668151 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -30.037
Base-Backbone interact. energy: -0.133
local terms energy: -46.514074
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -2.940
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -91.071101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.071101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.071101 (E_RNA)
where:
Base-Base interactions energy: -33.606
where: short stacking energy: -30.277
Base-Backbone interact. energy: -0.011
local terms energy: -57.453691
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -9.042
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: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -72.115543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.115543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.115543 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -31.328
Base-Backbone interact. energy: -0.705
local terms energy: -39.368037
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -232.398633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.398633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.398633 (E_RNA)
where:
Base-Base interactions energy: -149.358
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.453
local terms energy: -82.586870
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -21.554
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: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -231.016982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.016982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.016982 (E_RNA)
where:
Base-Base interactions energy: -152.008
where: short stacking energy: -74.351
Base-Backbone interact. energy: -0.012
local terms energy: -78.996494
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -21.404
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: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -215.260055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.260055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.260055 (E_RNA)
where:
Base-Base interactions energy: -141.156
where: short stacking energy: -71.785
Base-Backbone interact. energy: -0.922
local terms energy: -73.181820
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -22.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -216.814470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.814470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.814470 (E_RNA)
where:
Base-Base interactions energy: -144.697
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.218
local terms energy: -71.899649
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -179.061819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.061819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.061819 (E_RNA)
where:
Base-Base interactions energy: -115.434
where: short stacking energy: -53.888
Base-Backbone interact. energy: -0.317
local terms energy: -63.310900
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -5.270
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: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -173.005010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.005010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.005010 (E_RNA)
where:
Base-Base interactions energy: -107.162
where: short stacking energy: -43.178
Base-Backbone interact. energy: 0.300
local terms energy: -66.142766
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -12.182
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: 448
Temperature: 1.200000
Total energy: -131.174329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.174329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.174329 (E_RNA)
where:
Base-Base interactions energy: -72.256
where: short stacking energy: -46.351
Base-Backbone interact. energy: -0.004
local terms energy: -58.914919
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -89.285717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.285717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.285717 (E_RNA)
where:
Base-Base interactions energy: -40.786
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.411
local terms energy: -48.089544
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -83.756836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.756836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.756836 (E_RNA)
where:
Base-Base interactions energy: -27.445
where: short stacking energy: -22.983
Base-Backbone interact. energy: -0.132
local terms energy: -56.179856
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.991
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: 10, replica: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -79.710818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.710818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.710818 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -37.628
Base-Backbone interact. energy: -0.136
local terms energy: -41.946862
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -1.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -240.975357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.975357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.975357 (E_RNA)
where:
Base-Base interactions energy: -159.983
where: short stacking energy: -84.712
Base-Backbone interact. energy: 0.939
local terms energy: -81.931375
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -11.133
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: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -233.513661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.513661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.513661 (E_RNA)
where:
Base-Base interactions energy: -155.093
where: short stacking energy: -74.841
Base-Backbone interact. energy: -0.002
local terms energy: -78.417927
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -219.621428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.621428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.621428 (E_RNA)
where:
Base-Base interactions energy: -145.102
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.004
local terms energy: -74.515941
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -196.186538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.186538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.186538 (E_RNA)
where:
Base-Base interactions energy: -126.763
where: short stacking energy: -61.114
Base-Backbone interact. energy: 1.023
local terms energy: -70.446520
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -14.505
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: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -193.378721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.378721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.378721 (E_RNA)
where:
Base-Base interactions energy: -123.500
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.674
local terms energy: -69.204828
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -13.790
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: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -164.904140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.904140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.904140 (E_RNA)
where:
Base-Base interactions energy: -101.664
where: short stacking energy: -49.155
Base-Backbone interact. energy: -0.327
local terms energy: -62.912628
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -6.654
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: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -127.696028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.696028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.696028 (E_RNA)
where:
Base-Base interactions energy: -77.850
where: short stacking energy: -49.934
Base-Backbone interact. energy: -0.290
local terms energy: -49.555968
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -7.393
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -10.445
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: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -89.729927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.729927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.729927 (E_RNA)
where:
Base-Base interactions energy: -33.088
where: short stacking energy: -21.607
Base-Backbone interact. energy: -0.285
local terms energy: -56.357023
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -1.338
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: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -70.451215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.451215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.451215 (E_RNA)
where:
Base-Base interactions energy: -32.011
where: short stacking energy: -24.351
Base-Backbone interact. energy: 0.175
local terms energy: -38.614475
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: 3.307
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: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -78.790802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.790802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.790802 (E_RNA)
where:
Base-Base interactions energy: -33.147
where: short stacking energy: -31.081
Base-Backbone interact. energy: 0.184
local terms energy: -45.828424
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -233.675838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.675838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.675838 (E_RNA)
where:
Base-Base interactions energy: -153.463
where: short stacking energy: -74.391
Base-Backbone interact. energy: -0.009
local terms energy: -80.204487
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -13.029
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: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -230.535496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.535496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.535496 (E_RNA)
where:
Base-Base interactions energy: -156.006
where: short stacking energy: -75.959
Base-Backbone interact. energy: -0.590
local terms energy: -73.939946
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -222.686833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.686833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.686833 (E_RNA)
where:
Base-Base interactions energy: -146.865
where: short stacking energy: -66.464
Base-Backbone interact. energy: -0.300
local terms energy: -75.522276
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -191.321788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.321788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.321788 (E_RNA)
where:
Base-Base interactions energy: -123.398
where: short stacking energy: -58.410
Base-Backbone interact. energy: 0.331
local terms energy: -68.254535
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -202.457261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.457261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.457261 (E_RNA)
where:
Base-Base interactions energy: -127.219
where: short stacking energy: -64.537
Base-Backbone interact. energy: -0.039
local terms energy: -75.199202
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -12.280
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: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -163.144510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.144510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.144510 (E_RNA)
where:
Base-Base interactions energy: -110.420
where: short stacking energy: -47.338
Base-Backbone interact. energy: -0.123
local terms energy: -52.601437
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -101.499991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.499991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.499991 (E_RNA)
where:
Base-Base interactions energy: -50.335
where: short stacking energy: -36.590
Base-Backbone interact. energy: 0.207
local terms energy: -51.372770
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -8.584
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -5.648
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: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -121.414284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.414284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.414284 (E_RNA)
where:
Base-Base interactions energy: -66.375
where: short stacking energy: -32.392
Base-Backbone interact. energy: -0.297
local terms energy: -54.741849
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -76.059859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.059859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.059859 (E_RNA)
where:
Base-Base interactions energy: -23.270
where: short stacking energy: -23.270
Base-Backbone interact. energy: 0.085
local terms energy: -52.874932
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -79.097134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.097134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.097134 (E_RNA)
where:
Base-Base interactions energy: -29.375
where: short stacking energy: -28.114
Base-Backbone interact. energy: -0.095
local terms energy: -49.627306
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -229.033417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.033417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.033417 (E_RNA)
where:
Base-Base interactions energy: -151.552
where: short stacking energy: -74.525
Base-Backbone interact. energy: -0.042
local terms energy: -77.438707
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -20.349
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: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -225.487362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.487362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.487362 (E_RNA)
where:
Base-Base interactions energy: -146.019
where: short stacking energy: -70.201
Base-Backbone interact. energy: -0.122
local terms energy: -79.346022
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -22.993
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: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -215.210653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.210653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.210653 (E_RNA)
where:
Base-Base interactions energy: -141.940
where: short stacking energy: -68.842
Base-Backbone interact. energy: -0.366
local terms energy: -72.904740
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -11.613
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: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -198.245634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.245634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.245634 (E_RNA)
where:
Base-Base interactions energy: -126.789
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.104
local terms energy: -71.352826
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -197.382016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.382016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.382016 (E_RNA)
where:
Base-Base interactions energy: -126.044
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.053
local terms energy: -71.284755
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -9.664
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: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -165.778491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.778491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.778491 (E_RNA)
where:
Base-Base interactions energy: -102.291
where: short stacking energy: -40.166
Base-Backbone interact. energy: -0.246
local terms energy: -63.241714
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -104.787210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.787210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.787210 (E_RNA)
where:
Base-Base interactions energy: -49.599
where: short stacking energy: -29.019
Base-Backbone interact. energy: -0.085
local terms energy: -55.103417
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -79.897395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.897395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.897395 (E_RNA)
where:
Base-Base interactions energy: -30.731
where: short stacking energy: -21.946
Base-Backbone interact. energy: -0.080
local terms energy: -49.086391
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -89.971502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.971502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.971502 (E_RNA)
where:
Base-Base interactions energy: -44.644
where: short stacking energy: -31.136
Base-Backbone interact. energy: -0.195
local terms energy: -45.132498
where:
bonds (distance) C4'-P energy: -5.867
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -4.969
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: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -85.172751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.172751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.172751 (E_RNA)
where:
Base-Base interactions energy: -34.635
where: short stacking energy: -34.635
Base-Backbone interact. energy: -0.066
local terms energy: -50.471625
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -224.398227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.398227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.398227 (E_RNA)
where:
Base-Base interactions energy: -149.676
where: short stacking energy: -70.749
Base-Backbone interact. energy: 0.133
local terms energy: -74.854951
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -230.496874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.496874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.496874 (E_RNA)
where:
Base-Base interactions energy: -150.624
where: short stacking energy: -71.184
Base-Backbone interact. energy: -0.001
local terms energy: -79.872341
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -13.196
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: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -197.517044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.517044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.517044 (E_RNA)
where:
Base-Base interactions energy: -128.441
where: short stacking energy: -57.366
Base-Backbone interact. energy: -0.016
local terms energy: -69.059902
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -205.352062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.352062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.352062 (E_RNA)
where:
Base-Base interactions energy: -135.748
where: short stacking energy: -60.083
Base-Backbone interact. energy: 0.260
local terms energy: -69.863758
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -10.778
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: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -209.568634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.568634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.568634 (E_RNA)
where:
Base-Base interactions energy: -136.255
where: short stacking energy: -60.090
Base-Backbone interact. energy: -0.565
local terms energy: -72.748024
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -176.101437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.101437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.101437 (E_RNA)
where:
Base-Base interactions energy: -115.673
where: short stacking energy: -48.761
Base-Backbone interact. energy: -0.417
local terms energy: -60.011477
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -12.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -150.009490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.009490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.009490 (E_RNA)
where:
Base-Base interactions energy: -98.127
where: short stacking energy: -43.873
Base-Backbone interact. energy: 0.351
local terms energy: -52.233608
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -12.141
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: 452
Temperature: 1.250000
Total energy: -111.071552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.071552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.071552 (E_RNA)
where:
Base-Base interactions energy: -53.923
where: short stacking energy: -31.124
Base-Backbone interact. energy: 0.265
local terms energy: -57.414013
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -77.588616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.588616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.588616 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -30.890
Base-Backbone interact. energy: -0.236
local terms energy: -45.739298
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -1.552
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: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -75.655954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.655954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.655954 (E_RNA)
where:
Base-Base interactions energy: -26.200
where: short stacking energy: -24.769
Base-Backbone interact. energy: 0.193
local terms energy: -49.649598
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -233.589460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.589460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.589460 (E_RNA)
where:
Base-Base interactions energy: -154.718
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.004
local terms energy: -78.867448
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -10.671
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: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -228.072529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.072529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.072529 (E_RNA)
where:
Base-Base interactions energy: -147.119
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.057
local terms energy: -80.896606
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -20.355
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: 453
Temperature: 1.000000
Total energy: -197.355838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.355838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.355838 (E_RNA)
where:
Base-Base interactions energy: -125.723
where: short stacking energy: -63.915
Base-Backbone interact. energy: -0.184
local terms energy: -71.448851
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -210.357060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.357060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.357060 (E_RNA)
where:
Base-Base interactions energy: -142.477
where: short stacking energy: -77.264
Base-Backbone interact. energy: -0.003
local terms energy: -67.876780
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -8.758
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -8.064
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: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -191.248932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.248932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.248932 (E_RNA)
where:
Base-Base interactions energy: -122.205
where: short stacking energy: -61.627
Base-Backbone interact. energy: -0.731
local terms energy: -68.312607
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -8.064
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: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -175.930079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.930079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.930079 (E_RNA)
where:
Base-Base interactions energy: -110.793
where: short stacking energy: -47.006
Base-Backbone interact. energy: -0.090
local terms energy: -65.047450
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -12.791
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: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -168.162519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.162519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.162519 (E_RNA)
where:
Base-Base interactions energy: -109.665
where: short stacking energy: -43.529
Base-Backbone interact. energy: -0.128
local terms energy: -58.369161
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -5.007
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: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -136.915358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.915358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.915358 (E_RNA)
where:
Base-Base interactions energy: -82.454
where: short stacking energy: -36.354
Base-Backbone interact. energy: 1.635
local terms energy: -56.095871
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -7.913
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: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -113.910885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.910885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.910885 (E_RNA)
where:
Base-Base interactions energy: -62.684
where: short stacking energy: -37.751
Base-Backbone interact. energy: -0.347
local terms energy: -50.879948
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -6.505
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: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -84.176386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.176386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.176386 (E_RNA)
where:
Base-Base interactions energy: -35.492
where: short stacking energy: -29.053
Base-Backbone interact. energy: -0.056
local terms energy: -48.628296
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -6.373
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: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -226.898425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.898425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.898425 (E_RNA)
where:
Base-Base interactions energy: -152.309
where: short stacking energy: -70.268
Base-Backbone interact. energy: -0.212
local terms energy: -74.377087
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -220.227148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.227148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.227148 (E_RNA)
where:
Base-Base interactions energy: -144.778
where: short stacking energy: -69.714
Base-Backbone interact. energy: -0.015
local terms energy: -75.433816
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -7.548
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: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -225.598706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.598706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.598706 (E_RNA)
where:
Base-Base interactions energy: -146.262
where: short stacking energy: -74.511
Base-Backbone interact. energy: -0.164
local terms energy: -79.173018
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -186.149845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.149845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.149845 (E_RNA)
where:
Base-Base interactions energy: -115.204
where: short stacking energy: -45.721
Base-Backbone interact. energy: -0.025
local terms energy: -70.921035
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -195.313995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.313995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.313995 (E_RNA)
where:
Base-Base interactions energy: -130.976
where: short stacking energy: -57.458
Base-Backbone interact. energy: -1.903
local terms energy: -62.434641
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -201.823762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.823762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.823762 (E_RNA)
where:
Base-Base interactions energy: -134.619
where: short stacking energy: -60.275
Base-Backbone interact. energy: 0.140
local terms energy: -67.344949
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -161.527886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.527886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.527886 (E_RNA)
where:
Base-Base interactions energy: -105.406
where: short stacking energy: -41.126
Base-Backbone interact. energy: -0.207
local terms energy: -55.914345
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -8.878
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: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -81.168064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.168064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.168064 (E_RNA)
where:
Base-Base interactions energy: -32.078
where: short stacking energy: -32.078
Base-Backbone interact. energy: -0.183
local terms energy: -48.907117
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -141.000996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.000996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.000996 (E_RNA)
where:
Base-Base interactions energy: -84.405
where: short stacking energy: -45.705
Base-Backbone interact. energy: -0.929
local terms energy: -55.667146
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -1.742
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -80.338331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.338331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.338331 (E_RNA)
where:
Base-Base interactions energy: -33.921
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.059
local terms energy: -46.357948
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -231.134146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.134146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.134146 (E_RNA)
where:
Base-Base interactions energy: -158.940
where: short stacking energy: -77.093
Base-Backbone interact. energy: -0.167
local terms energy: -72.027064
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -223.434536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.434536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434536 (E_RNA)
where:
Base-Base interactions energy: -158.930
where: short stacking energy: -75.815
Base-Backbone interact. energy: -0.161
local terms energy: -64.343895
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -214.757893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.757893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.757893 (E_RNA)
where:
Base-Base interactions energy: -141.165
where: short stacking energy: -69.824
Base-Backbone interact. energy: -0.068
local terms energy: -73.525125
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.400
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: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -190.971996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.971996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.971996 (E_RNA)
where:
Base-Base interactions energy: -124.197
where: short stacking energy: -63.351
Base-Backbone interact. energy: -0.001
local terms energy: -66.773526
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -200.372584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.372584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.372584 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.099
local terms energy: -60.603199
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -192.009727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.009727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.009727 (E_RNA)
where:
Base-Base interactions energy: -124.001
where: short stacking energy: -59.990
Base-Backbone interact. energy: -0.032
local terms energy: -67.977585
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -20.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -168.506346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.506346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.506346 (E_RNA)
where:
Base-Base interactions energy: -111.104
where: short stacking energy: -52.408
Base-Backbone interact. energy: -0.001
local terms energy: -57.400559
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -7.821
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -152.600771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.600771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.600771 (E_RNA)
where:
Base-Base interactions energy: -95.222
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.018
local terms energy: -57.361107
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -9.841
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: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -80.702801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.702801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.702801 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -31.737
Base-Backbone interact. energy: -0.434
local terms energy: -42.644867
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.488
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: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -68.152131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.152131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.152131 (E_RNA)
where:
Base-Base interactions energy: -19.321
where: short stacking energy: -17.424
Base-Backbone interact. energy: -0.126
local terms energy: -48.705681
where:
bonds (distance) C4'-P energy: -8.946
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -230.096389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.096389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.096389 (E_RNA)
where:
Base-Base interactions energy: -151.311
where: short stacking energy: -76.093
Base-Backbone interact. energy: 1.937
local terms energy: -80.722294
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -229.340258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.340258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.340258 (E_RNA)
where:
Base-Base interactions energy: -156.751
where: short stacking energy: -72.657
Base-Backbone interact. energy: -0.582
local terms energy: -72.007256
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -217.028893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.028893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.028893 (E_RNA)
where:
Base-Base interactions energy: -144.122
where: short stacking energy: -64.196
Base-Backbone interact. energy: -0.313
local terms energy: -72.594122
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -185.200000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.200000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.200000 (E_RNA)
where:
Base-Base interactions energy: -125.704
where: short stacking energy: -58.737
Base-Backbone interact. energy: 0.378
local terms energy: -59.874049
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -11.731
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: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -206.380071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.380071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.380071 (E_RNA)
where:
Base-Base interactions energy: -139.202
where: short stacking energy: -62.769
Base-Backbone interact. energy: -0.017
local terms energy: -67.160964
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -9.071
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -18.747
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: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -194.258263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.258263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.258263 (E_RNA)
where:
Base-Base interactions energy: -124.526
where: short stacking energy: -63.611
Base-Backbone interact. energy: -0.238
local terms energy: -69.493962
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -163.281955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.281955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.281955 (E_RNA)
where:
Base-Base interactions energy: -101.110
where: short stacking energy: -39.431
Base-Backbone interact. energy: -0.606
local terms energy: -61.565539
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -88.328867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.328867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.328867 (E_RNA)
where:
Base-Base interactions energy: -33.475
where: short stacking energy: -31.814
Base-Backbone interact. energy: -0.037
local terms energy: -54.816926
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -114.596695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.596695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.596695 (E_RNA)
where:
Base-Base interactions energy: -71.416
where: short stacking energy: -37.577
Base-Backbone interact. energy: -0.232
local terms energy: -42.947901
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -8.319
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -73.962130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.962130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.962130 (E_RNA)
where:
Base-Base interactions energy: -31.445
where: short stacking energy: -26.955
Base-Backbone interact. energy: -0.339
local terms energy: -42.177738
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -3.872
tors. eta vs tors. theta energy: 1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -230.581368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.581368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.581368 (E_RNA)
where:
Base-Base interactions energy: -154.073
where: short stacking energy: -77.631
Base-Backbone interact. energy: -0.002
local terms energy: -76.505831
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -233.241227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.241227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.241227 (E_RNA)
where:
Base-Base interactions energy: -151.780
where: short stacking energy: -77.579
Base-Backbone interact. energy: -0.618
local terms energy: -80.843532
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -21.718
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: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -221.355479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.355479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.355479 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.026
local terms energy: -75.540912
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -193.129753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.129753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.129753 (E_RNA)
where:
Base-Base interactions energy: -121.540
where: short stacking energy: -56.610
Base-Backbone interact. energy: -0.062
local terms energy: -71.527090
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -13.523
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: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -192.084189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.084189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.084189 (E_RNA)
where:
Base-Base interactions energy: -121.925
where: short stacking energy: -49.661
Base-Backbone interact. energy: 0.857
local terms energy: -71.016285
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -16.393
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: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -176.294068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.294068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.294068 (E_RNA)
where:
Base-Base interactions energy: -120.357
where: short stacking energy: -49.686
Base-Backbone interact. energy: 1.164
local terms energy: -57.101133
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -169.844977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.844977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.844977 (E_RNA)
where:
Base-Base interactions energy: -106.669
where: short stacking energy: -47.279
Base-Backbone interact. energy: -0.998
local terms energy: -62.177648
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -92.003065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.003065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.003065 (E_RNA)
where:
Base-Base interactions energy: -35.945
where: short stacking energy: -35.411
Base-Backbone interact. energy: 1.020
local terms energy: -57.077281
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -87.397135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.397135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.397135 (E_RNA)
where:
Base-Base interactions energy: -45.520
where: short stacking energy: -30.097
Base-Backbone interact. energy: 1.892
local terms energy: -43.769126
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -1.253
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: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -81.319555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.319555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.319555 (E_RNA)
where:
Base-Base interactions energy: -33.764
where: short stacking energy: -33.764
Base-Backbone interact. energy: 1.029
local terms energy: -48.585103
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -234.749287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.749287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.749287 (E_RNA)
where:
Base-Base interactions energy: -156.242
where: short stacking energy: -75.792
Base-Backbone interact. energy: -0.050
local terms energy: -78.457654
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -8.806
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: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -231.778779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.778779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.778779 (E_RNA)
where:
Base-Base interactions energy: -151.972
where: short stacking energy: -73.064
Base-Backbone interact. energy: -0.031
local terms energy: -79.775693
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.433
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: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -220.334764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.334764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.334764 (E_RNA)
where:
Base-Base interactions energy: -140.179
where: short stacking energy: -72.488
Base-Backbone interact. energy: -0.002
local terms energy: -80.153398
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -21.209
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: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -188.201567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.201567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.201567 (E_RNA)
where:
Base-Base interactions energy: -120.456
where: short stacking energy: -52.178
Base-Backbone interact. energy: 0.665
local terms energy: -68.410494
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -10.812
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: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -203.457287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.457287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.457287 (E_RNA)
where:
Base-Base interactions energy: -127.059
where: short stacking energy: -63.221
Base-Backbone interact. energy: -0.003
local terms energy: -76.394905
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -15.352
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: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -179.141507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.141507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.141507 (E_RNA)
where:
Base-Base interactions energy: -113.420
where: short stacking energy: -58.067
Base-Backbone interact. energy: -0.028
local terms energy: -65.693545
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -169.590081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.590081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.590081 (E_RNA)
where:
Base-Base interactions energy: -105.949
where: short stacking energy: -43.554
Base-Backbone interact. energy: -0.086
local terms energy: -63.555460
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -10.143
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: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -82.955290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.955290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.955290 (E_RNA)
where:
Base-Base interactions energy: -30.405
where: short stacking energy: -30.405
Base-Backbone interact. energy: 0.240
local terms energy: -52.790322
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -85.396142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.396142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.396142 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -24.707
Base-Backbone interact. energy: 1.422
local terms energy: -59.532705
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -4.552
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: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -87.438799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.438799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.438799 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -30.256
Base-Backbone interact. energy: -0.029
local terms energy: -54.280115
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -6.851
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: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -232.148965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.148965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.148965 (E_RNA)
where:
Base-Base interactions energy: -152.238
where: short stacking energy: -67.614
Base-Backbone interact. energy: 0.026
local terms energy: -79.936905
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -230.414886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.414886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.414886 (E_RNA)
where:
Base-Base interactions energy: -149.433
where: short stacking energy: -73.426
Base-Backbone interact. energy: -0.000
local terms energy: -80.981378
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -12.903
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: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -213.447815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.447815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.447815 (E_RNA)
where:
Base-Base interactions energy: -144.261
where: short stacking energy: -75.264
Base-Backbone interact. energy: -0.001
local terms energy: -69.185967
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -20.601
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: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -186.048687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.048687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.048687 (E_RNA)
where:
Base-Base interactions energy: -118.444
where: short stacking energy: -48.938
Base-Backbone interact. energy: -0.149
local terms energy: -67.455718
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -7.731
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: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -198.663331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.663331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.663331 (E_RNA)
where:
Base-Base interactions energy: -121.711
where: short stacking energy: -57.589
Base-Backbone interact. energy: -0.008
local terms energy: -76.944299
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -178.684916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.684916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.684916 (E_RNA)
where:
Base-Base interactions energy: -112.434
where: short stacking energy: -50.752
Base-Backbone interact. energy: -0.010
local terms energy: -66.240587
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -172.126688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.126688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.126688 (E_RNA)
where:
Base-Base interactions energy: -112.155
where: short stacking energy: -51.971
Base-Backbone interact. energy: 0.111
local terms energy: -60.082715
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -94.238349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.238349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.238349 (E_RNA)
where:
Base-Base interactions energy: -37.625
where: short stacking energy: -35.553
Base-Backbone interact. energy: -0.057
local terms energy: -56.556047
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -6.926
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: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -103.658170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.658170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.658170 (E_RNA)
where:
Base-Base interactions energy: -49.194
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.358
local terms energy: -54.107070
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -70.299349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.299349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.299349 (E_RNA)
where:
Base-Base interactions energy: -31.626
where: short stacking energy: -31.626
Base-Backbone interact. energy: -0.158
local terms energy: -38.515360
where:
bonds (distance) C4'-P energy: -6.991
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: 0.180
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: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -228.630782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.630782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.630782 (E_RNA)
where:
Base-Base interactions energy: -153.317
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.001
local terms energy: -75.312478
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -19.772
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: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -225.372354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.372354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.372354 (E_RNA)
where:
Base-Base interactions energy: -145.672
where: short stacking energy: -70.572
Base-Backbone interact. energy: -0.011
local terms energy: -79.689622
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -224.200253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.200253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.200253 (E_RNA)
where:
Base-Base interactions energy: -144.131
where: short stacking energy: -69.639
Base-Backbone interact. energy: -0.812
local terms energy: -79.257607
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -189.347798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.347798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.347798 (E_RNA)
where:
Base-Base interactions energy: -126.489
where: short stacking energy: -57.291
Base-Backbone interact. energy: -0.025
local terms energy: -62.834131
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -207.719504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.719504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.719504 (E_RNA)
where:
Base-Base interactions energy: -137.651
where: short stacking energy: -62.618
Base-Backbone interact. energy: -0.617
local terms energy: -69.451404
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -18.682
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: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -179.985362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.985362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.985362 (E_RNA)
where:
Base-Base interactions energy: -112.712
where: short stacking energy: -53.565
Base-Backbone interact. energy: -0.609
local terms energy: -66.664699
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -167.377389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.377389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.377389 (E_RNA)
where:
Base-Base interactions energy: -107.033
where: short stacking energy: -54.667
Base-Backbone interact. energy: -0.099
local terms energy: -60.246223
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -6.925
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -96.375644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.375644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.375644 (E_RNA)
where:
Base-Base interactions energy: -48.220
where: short stacking energy: -21.872
Base-Backbone interact. energy: -0.730
local terms energy: -47.425697
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -76.850447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.850447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.850447 (E_RNA)
where:
Base-Base interactions energy: -22.888
where: short stacking energy: -21.785
Base-Backbone interact. energy: -0.254
local terms energy: -53.708529
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -88.277063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.277063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.277063 (E_RNA)
where:
Base-Base interactions energy: -38.901
where: short stacking energy: -17.424
Base-Backbone interact. energy: -0.086
local terms energy: -49.289924
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -224.278076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.278076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.278076 (E_RNA)
where:
Base-Base interactions energy: -146.630
where: short stacking energy: -77.857
Base-Backbone interact. energy: -0.618
local terms energy: -77.029649
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -22.206
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: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -227.137909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.137909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.137909 (E_RNA)
where:
Base-Base interactions energy: -153.240
where: short stacking energy: -76.852
Base-Backbone interact. energy: -0.016
local terms energy: -73.881444
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -10.445
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: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -225.689312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.689312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.689312 (E_RNA)
where:
Base-Base interactions energy: -152.229
where: short stacking energy: -72.159
Base-Backbone interact. energy: -0.002
local terms energy: -73.457775
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -10.954
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: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -217.982660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.982660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.982660 (E_RNA)
where:
Base-Base interactions energy: -141.032
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.422
local terms energy: -76.529138
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -22.718
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: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -189.353314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.353314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.353314 (E_RNA)
where:
Base-Base interactions energy: -117.667
where: short stacking energy: -49.616
Base-Backbone interact. energy: -0.011
local terms energy: -71.674964
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -161.065247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.065247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.065247 (E_RNA)
where:
Base-Base interactions energy: -100.063
where: short stacking energy: -37.656
Base-Backbone interact. energy: -0.625
local terms energy: -60.376552
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -172.304144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.304144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.304144 (E_RNA)
where:
Base-Base interactions energy: -113.849
where: short stacking energy: -54.224
Base-Backbone interact. energy: 0.814
local terms energy: -59.268687
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -99.042160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.042160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.042160 (E_RNA)
where:
Base-Base interactions energy: -43.203
where: short stacking energy: -41.429
Base-Backbone interact. energy: -0.335
local terms energy: -55.504018
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -71.253016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.253016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.253016 (E_RNA)
where:
Base-Base interactions energy: -21.625
where: short stacking energy: -13.795
Base-Backbone interact. energy: -2.433
local terms energy: -47.195395
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: 3.279
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: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -73.544996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.544996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.544996 (E_RNA)
where:
Base-Base interactions energy: -26.906
where: short stacking energy: -23.410
Base-Backbone interact. energy: -0.045
local terms energy: -46.593991
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -3.661
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: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -235.851833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.851833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.851833 (E_RNA)
where:
Base-Base interactions energy: -154.719
where: short stacking energy: -75.446
Base-Backbone interact. energy: -0.001
local terms energy: -81.131800
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -224.184354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.184354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.184354 (E_RNA)
where:
Base-Base interactions energy: -149.772
where: short stacking energy: -73.581
Base-Backbone interact. energy: -0.290
local terms energy: -74.121962
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -226.912492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.912492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.912492 (E_RNA)
where:
Base-Base interactions energy: -150.484
where: short stacking energy: -74.078
Base-Backbone interact. energy: -0.305
local terms energy: -76.122634
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -19.722
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: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -217.264552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.264552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.264552 (E_RNA)
where:
Base-Base interactions energy: -141.552
where: short stacking energy: -73.167
Base-Backbone interact. energy: -0.007
local terms energy: -75.705495
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -189.764567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.764567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.764567 (E_RNA)
where:
Base-Base interactions energy: -128.926
where: short stacking energy: -67.032
Base-Backbone interact. energy: -0.001
local terms energy: -60.837726
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -157.884621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.884621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.884621 (E_RNA)
where:
Base-Base interactions energy: -103.787
where: short stacking energy: -46.646
Base-Backbone interact. energy: 1.103
local terms energy: -55.200668
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -178.483141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.483141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.483141 (E_RNA)
where:
Base-Base interactions energy: -118.736
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.008
local terms energy: -59.739927
where:
bonds (distance) C4'-P energy: -7.068
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -18.917
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: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -93.657744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.657744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.657744 (E_RNA)
where:
Base-Base interactions energy: -38.335
where: short stacking energy: -38.335
Base-Backbone interact. energy: -0.062
local terms energy: -55.261307
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -8.397
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -75.448306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.448306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.448306 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -26.966
Base-Backbone interact. energy: -0.231
local terms energy: -42.168101
where:
bonds (distance) C4'-P energy: -4.262
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -74.730415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.730415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.730415 (E_RNA)
where:
Base-Base interactions energy: -26.930
where: short stacking energy: -23.707
Base-Backbone interact. energy: -0.090
local terms energy: -47.710599
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -235.814819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.814819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.814819 (E_RNA)
where:
Base-Base interactions energy: -153.148
where: short stacking energy: -74.366
Base-Backbone interact. energy: -0.000
local terms energy: -82.666203
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -224.652647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.652647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.652647 (E_RNA)
where:
Base-Base interactions energy: -147.393
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.001
local terms energy: -77.258557
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -22.308
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: 463
Temperature: 1.000000
Total energy: -216.730931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.730931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.730931 (E_RNA)
where:
Base-Base interactions energy: -139.625
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.230
local terms energy: -76.875882
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -214.137105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.137105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.137105 (E_RNA)
where:
Base-Base interactions energy: -141.517
where: short stacking energy: -66.928
Base-Backbone interact. energy: -0.001
local terms energy: -72.619206
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -174.282287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.282287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.282287 (E_RNA)
where:
Base-Base interactions energy: -109.308
where: short stacking energy: -46.240
Base-Backbone interact. energy: -0.096
local terms energy: -64.879040
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -8.889
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: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -180.908030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.908030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.908030 (E_RNA)
where:
Base-Base interactions energy: -121.841
where: short stacking energy: -62.239
Base-Backbone interact. energy: 0.555
local terms energy: -59.622167
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -162.763439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.763439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.763439 (E_RNA)
where:
Base-Base interactions energy: -103.802
where: short stacking energy: -54.223
Base-Backbone interact. energy: -0.564
local terms energy: -58.397050
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -13.156
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: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -92.683215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.683215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.683215 (E_RNA)
where:
Base-Base interactions energy: -38.924
where: short stacking energy: -18.358
Base-Backbone interact. energy: -0.149
local terms energy: -53.610507
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -11.086
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: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -77.474418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.474418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.474418 (E_RNA)
where:
Base-Base interactions energy: -20.050
where: short stacking energy: -19.824
Base-Backbone interact. energy: -0.335
local terms energy: -57.089973
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -0.616
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: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -83.988086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.988086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.988086 (E_RNA)
where:
Base-Base interactions energy: -29.203
where: short stacking energy: -27.770
Base-Backbone interact. energy: 0.891
local terms energy: -55.675827
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -3.324
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: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -229.552182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.552182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.552182 (E_RNA)
where:
Base-Base interactions energy: -149.943
where: short stacking energy: -75.262
Base-Backbone interact. energy: -0.292
local terms energy: -79.316755
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -21.535
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: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -222.488824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.488824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.488824 (E_RNA)
where:
Base-Base interactions energy: -147.084
where: short stacking energy: -66.836
Base-Backbone interact. energy: -0.006
local terms energy: -75.399199
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -12.240
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: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -220.318825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.318825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.318825 (E_RNA)
where:
Base-Base interactions energy: -143.210
where: short stacking energy: -65.208
Base-Backbone interact. energy: -0.345
local terms energy: -76.763611
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -21.917
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: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -220.682483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.682483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.682483 (E_RNA)
where:
Base-Base interactions energy: -147.891
where: short stacking energy: -68.606
Base-Backbone interact. energy: -0.033
local terms energy: -72.758585
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -191.387620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.387620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.387620 (E_RNA)
where:
Base-Base interactions energy: -117.289
where: short stacking energy: -62.510
Base-Backbone interact. energy: -0.388
local terms energy: -73.710978
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -167.835440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.835440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.835440 (E_RNA)
where:
Base-Base interactions energy: -113.791
where: short stacking energy: -51.527
Base-Backbone interact. energy: -0.660
local terms energy: -53.384430
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -7.920
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -166.544627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.544627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.544627 (E_RNA)
where:
Base-Base interactions energy: -102.527
where: short stacking energy: -49.383
Base-Backbone interact. energy: -0.153
local terms energy: -63.864491
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -7.012
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: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -89.270268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.270268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.270268 (E_RNA)
where:
Base-Base interactions energy: -31.726
where: short stacking energy: -31.726
Base-Backbone interact. energy: -0.210
local terms energy: -57.334584
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -6.744
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: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -100.412564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.412564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.412564 (E_RNA)
where:
Base-Base interactions energy: -47.810
where: short stacking energy: -28.098
Base-Backbone interact. energy: -0.118
local terms energy: -52.485403
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -7.393
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: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -69.946820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.946820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.946820 (E_RNA)
where:
Base-Base interactions energy: -31.700
where: short stacking energy: -4.684
Base-Backbone interact. energy: -0.122
local terms energy: -38.124249
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: 5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -237.013801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.013801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.013801 (E_RNA)
where:
Base-Base interactions energy: -156.924
where: short stacking energy: -77.602
Base-Backbone interact. energy: -0.022
local terms energy: -80.067511
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.497
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: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -225.931030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.931030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.931030 (E_RNA)
where:
Base-Base interactions energy: -146.242
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.554
local terms energy: -79.134653
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -11.204
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: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -217.290544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.290544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.290544 (E_RNA)
where:
Base-Base interactions energy: -142.906
where: short stacking energy: -66.861
Base-Backbone interact. energy: -0.686
local terms energy: -73.698426
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -9.556
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: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -216.503420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.503420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.503420 (E_RNA)
where:
Base-Base interactions energy: -144.889
where: short stacking energy: -76.219
Base-Backbone interact. energy: -0.008
local terms energy: -71.606259
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -187.426108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.426108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.426108 (E_RNA)
where:
Base-Base interactions energy: -121.775
where: short stacking energy: -48.093
Base-Backbone interact. energy: 0.632
local terms energy: -66.283271
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -7.632
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: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -171.853543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.853543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.853543 (E_RNA)
where:
Base-Base interactions energy: -113.087
where: short stacking energy: -44.620
Base-Backbone interact. energy: -0.888
local terms energy: -57.878485
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -182.237551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.237551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.237551 (E_RNA)
where:
Base-Base interactions energy: -124.324
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.214
local terms energy: -57.699970
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -11.301
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: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -91.006849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.006849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.006849 (E_RNA)
where:
Base-Base interactions energy: -34.844
where: short stacking energy: -34.342
Base-Backbone interact. energy: 0.005
local terms energy: -56.168171
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -85.223658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.223658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.223658 (E_RNA)
where:
Base-Base interactions energy: -42.489
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.098
local terms energy: -42.636549
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -2.469
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: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -76.843427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.843427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.843427 (E_RNA)
where:
Base-Base interactions energy: -32.581
where: short stacking energy: -27.669
Base-Backbone interact. energy: -0.312
local terms energy: -43.950031
where:
bonds (distance) C4'-P energy: -6.662
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -231.314781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.314781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.314781 (E_RNA)
where:
Base-Base interactions energy: -146.734
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.001
local terms energy: -84.579847
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -24.162
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: 466
Temperature: 0.950000
Total energy: -225.360543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.360543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.360543 (E_RNA)
where:
Base-Base interactions energy: -145.135
where: short stacking energy: -74.064
Base-Backbone interact. energy: -0.002
local terms energy: -80.223035
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -22.502
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: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -220.061062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.061062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.061062 (E_RNA)
where:
Base-Base interactions energy: -147.506
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.006
local terms energy: -72.549492
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -16.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -198.904931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.904931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.904931 (E_RNA)
where:
Base-Base interactions energy: -131.573
where: short stacking energy: -63.279
Base-Backbone interact. energy: -0.269
local terms energy: -67.062864
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -185.880668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.880668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.880668 (E_RNA)
where:
Base-Base interactions energy: -113.024
where: short stacking energy: -52.277
Base-Backbone interact. energy: -0.196
local terms energy: -72.661102
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.134
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: 466
Temperature: 1.150000
Total energy: -178.938389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.938389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.938389 (E_RNA)
where:
Base-Base interactions energy: -121.271
where: short stacking energy: -48.703
Base-Backbone interact. energy: 0.910
local terms energy: -58.577871
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -11.004
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: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -179.569695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.569695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.569695 (E_RNA)
where:
Base-Base interactions energy: -115.062
where: short stacking energy: -50.447
Base-Backbone interact. energy: -0.172
local terms energy: -64.335659
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -95.559851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.559851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.559851 (E_RNA)
where:
Base-Base interactions energy: -45.500
where: short stacking energy: -30.187
Base-Backbone interact. energy: -0.204
local terms energy: -49.856652
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -4.061
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: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -82.876207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.876207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.876207 (E_RNA)
where:
Base-Base interactions energy: -39.872
where: short stacking energy: -17.314
Base-Backbone interact. energy: -0.337
local terms energy: -42.667141
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: 4.473
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: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -79.447072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.447072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.447072 (E_RNA)
where:
Base-Base interactions energy: -27.409
where: short stacking energy: -27.409
Base-Backbone interact. energy: -0.119
local terms energy: -51.918881
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -233.405716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.405716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.405716 (E_RNA)
where:
Base-Base interactions energy: -155.974
where: short stacking energy: -75.351
Base-Backbone interact. energy: -0.065
local terms energy: -77.367569
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -228.894787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.894787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.894787 (E_RNA)
where:
Base-Base interactions energy: -149.223
where: short stacking energy: -74.346
Base-Backbone interact. energy: -0.628
local terms energy: -79.044016
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -225.457378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.457378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.457378 (E_RNA)
where:
Base-Base interactions energy: -146.016
where: short stacking energy: -72.786
Base-Backbone interact. energy: -0.172
local terms energy: -79.269346
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -183.772852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.772852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.772852 (E_RNA)
where:
Base-Base interactions energy: -122.394
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.100
local terms energy: -61.279599
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -211.753303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.753303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.753303 (E_RNA)
where:
Base-Base interactions energy: -138.929
where: short stacking energy: -63.475
Base-Backbone interact. energy: -0.097
local terms energy: -72.727321
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -172.747601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.747601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.747601 (E_RNA)
where:
Base-Base interactions energy: -107.380
where: short stacking energy: -43.637
Base-Backbone interact. energy: -0.556
local terms energy: -64.812028
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -9.266
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: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -165.916004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.916004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.916004 (E_RNA)
where:
Base-Base interactions energy: -99.103
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.007
local terms energy: -66.805478
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -12.222
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: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -84.957624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.957624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.957624 (E_RNA)
where:
Base-Base interactions energy: -36.187
where: short stacking energy: -31.847
Base-Backbone interact. energy: -0.104
local terms energy: -48.666149
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -80.542269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.542269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.542269 (E_RNA)
where:
Base-Base interactions energy: -21.822
where: short stacking energy: -21.822
Base-Backbone interact. energy: -0.027
local terms energy: -58.693048
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -1.815
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: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -83.180701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.180701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.180701 (E_RNA)
where:
Base-Base interactions energy: -27.682
where: short stacking energy: -26.790
Base-Backbone interact. energy: -0.049
local terms energy: -55.450156
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -7.187
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: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -228.078662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.078662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.078662 (E_RNA)
where:
Base-Base interactions energy: -152.263
where: short stacking energy: -68.438
Base-Backbone interact. energy: -0.815
local terms energy: -74.999935
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -230.095998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.095998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.095998 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -74.264
Base-Backbone interact. energy: -0.171
local terms energy: -77.917757
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -22.007
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: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -221.840575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.840575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.840575 (E_RNA)
where:
Base-Base interactions energy: -143.421
where: short stacking energy: -64.735
Base-Backbone interact. energy: -0.133
local terms energy: -78.286536
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.840
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: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -185.939992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.939992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.939992 (E_RNA)
where:
Base-Base interactions energy: -118.215
where: short stacking energy: -59.409
Base-Backbone interact. energy: 0.437
local terms energy: -68.161958
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -203.306258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.306258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.306258 (E_RNA)
where:
Base-Base interactions energy: -134.897
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.061
local terms energy: -68.348670
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -15.765
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: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -145.596583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.596583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.596583 (E_RNA)
where:
Base-Base interactions energy: -93.899
where: short stacking energy: -22.483
Base-Backbone interact. energy: -0.513
local terms energy: -51.185114
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -174.238565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.238565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.238565 (E_RNA)
where:
Base-Base interactions energy: -121.772
where: short stacking energy: -52.652
Base-Backbone interact. energy: -0.004
local terms energy: -52.461795
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -98.211417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211417 (E_RNA)
where:
Base-Base interactions energy: -48.481
where: short stacking energy: -27.205
Base-Backbone interact. energy: -0.447
local terms energy: -49.283186
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -84.487753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.487753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.487753 (E_RNA)
where:
Base-Base interactions energy: -33.579
where: short stacking energy: -17.059
Base-Backbone interact. energy: -0.207
local terms energy: -50.701924
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: 3.318
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: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -79.846863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.846863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.846863 (E_RNA)
where:
Base-Base interactions energy: -28.217
where: short stacking energy: -28.217
Base-Backbone interact. energy: -0.045
local terms energy: -51.584694
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -10.760
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: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -230.930848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.930848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.930848 (E_RNA)
where:
Base-Base interactions energy: -152.122
where: short stacking energy: -80.294
Base-Backbone interact. energy: -0.277
local terms energy: -78.531589
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -21.663
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: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -226.393586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.393586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.393586 (E_RNA)
where:
Base-Base interactions energy: -146.206
where: short stacking energy: -71.441
Base-Backbone interact. energy: -0.005
local terms energy: -80.182257
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -221.286739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.286739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.286739 (E_RNA)
where:
Base-Base interactions energy: -147.030
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.005
local terms energy: -74.252017
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -214.830423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.830423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.830423 (E_RNA)
where:
Base-Base interactions energy: -141.490
where: short stacking energy: -69.495
Base-Backbone interact. energy: -0.222
local terms energy: -73.118811
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -182.453458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.453458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.453458 (E_RNA)
where:
Base-Base interactions energy: -119.852
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.057
local terms energy: -62.545292
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -11.530
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: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -183.213416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.213416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.213416 (E_RNA)
where:
Base-Base interactions energy: -115.685
where: short stacking energy: -52.067
Base-Backbone interact. energy: -0.231
local terms energy: -67.297884
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -149.788873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.788873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.788873 (E_RNA)
where:
Base-Base interactions energy: -86.692
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.143
local terms energy: -62.953537
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -81.622551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.622551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.622551 (E_RNA)
where:
Base-Base interactions energy: -41.494
where: short stacking energy: -32.976
Base-Backbone interact. energy: -0.204
local terms energy: -39.924202
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -7.992
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -87.196100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.196100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.196100 (E_RNA)
where:
Base-Base interactions energy: -40.573
where: short stacking energy: -24.934
Base-Backbone interact. energy: 1.178
local terms energy: -47.800997
where:
bonds (distance) C4'-P energy: -7.093
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -2.692
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: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -77.119487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.119487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.119487 (E_RNA)
where:
Base-Base interactions energy: -25.896
where: short stacking energy: -25.896
Base-Backbone interact. energy: -0.132
local terms energy: -51.091483
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -233.095180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.095180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.095180 (E_RNA)
where:
Base-Base interactions energy: -153.792
where: short stacking energy: -78.302
Base-Backbone interact. energy: -0.008
local terms energy: -79.295453
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -234.112110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.112110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.112110 (E_RNA)
where:
Base-Base interactions energy: -149.565
where: short stacking energy: -75.422
Base-Backbone interact. energy: -0.000
local terms energy: -84.546461
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -212.253923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.253923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.253923 (E_RNA)
where:
Base-Base interactions energy: -143.432
where: short stacking energy: -62.557
Base-Backbone interact. energy: -0.384
local terms energy: -68.437233
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -223.327310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.327310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.327310 (E_RNA)
where:
Base-Base interactions energy: -151.570
where: short stacking energy: -74.833
Base-Backbone interact. energy: -0.173
local terms energy: -71.584332
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.494
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: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -177.882481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.882481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.882481 (E_RNA)
where:
Base-Base interactions energy: -118.969
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.002
local terms energy: -58.911289
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -180.161107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.161107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.161107 (E_RNA)
where:
Base-Base interactions energy: -115.739
where: short stacking energy: -45.957
Base-Backbone interact. energy: -0.005
local terms energy: -64.416813
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -118.781933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.781933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.781933 (E_RNA)
where:
Base-Base interactions energy: -72.289
where: short stacking energy: -32.559
Base-Backbone interact. energy: -0.889
local terms energy: -45.604380
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -7.091
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -6.527
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: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -86.926390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.926390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.926390 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -23.300
Base-Backbone interact. energy: -0.018
local terms energy: -55.758985
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -77.224254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.224254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.224254 (E_RNA)
where:
Base-Base interactions energy: -32.036
where: short stacking energy: -26.528
Base-Backbone interact. energy: -0.207
local terms energy: -44.980955
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -84.322904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.322904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.322904 (E_RNA)
where:
Base-Base interactions energy: -29.354
where: short stacking energy: -25.020
Base-Backbone interact. energy: -0.066
local terms energy: -54.903426
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -229.311289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.311289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.311289 (E_RNA)
where:
Base-Base interactions energy: -151.749
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.495
local terms energy: -77.067284
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.223
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: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -220.192677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.192677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.192677 (E_RNA)
where:
Base-Base interactions energy: -143.403
where: short stacking energy: -66.961
Base-Backbone interact. energy: -0.313
local terms energy: -76.476475
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -214.317604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.317604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.317604 (E_RNA)
where:
Base-Base interactions energy: -143.563
where: short stacking energy: -65.059
Base-Backbone interact. energy: -0.124
local terms energy: -70.630318
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.050
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: 4, replica: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -213.100463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.100463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.100463 (E_RNA)
where:
Base-Base interactions energy: -151.215
where: short stacking energy: -68.409
Base-Backbone interact. energy: -0.003
local terms energy: -61.882409
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -9.446
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: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -176.371869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.371869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.371869 (E_RNA)
where:
Base-Base interactions energy: -110.962
where: short stacking energy: -44.131
Base-Backbone interact. energy: -0.316
local terms energy: -65.093782
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -185.150271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.150271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.150271 (E_RNA)
where:
Base-Base interactions energy: -119.452
where: short stacking energy: -58.379
Base-Backbone interact. energy: 1.195
local terms energy: -66.892990
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -14.816
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: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -134.857670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.857670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.857670 (E_RNA)
where:
Base-Base interactions energy: -81.880
where: short stacking energy: -30.825
Base-Backbone interact. energy: -0.355
local terms energy: -52.622591
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -3.498
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: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -89.221414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.221414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.221414 (E_RNA)
where:
Base-Base interactions energy: -46.558
where: short stacking energy: -27.961
Base-Backbone interact. energy: 1.676
local terms energy: -44.339529
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -6.992
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -4.910
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: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -77.833916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.833916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.833916 (E_RNA)
where:
Base-Base interactions energy: -32.512
where: short stacking energy: -32.331
Base-Backbone interact. energy: -0.103
local terms energy: -45.218362
where:
bonds (distance) C4'-P energy: -5.598
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -81.352910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.352910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.352910 (E_RNA)
where:
Base-Base interactions energy: -25.131
where: short stacking energy: -25.131
Base-Backbone interact. energy: -0.025
local terms energy: -56.197034
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -227.672368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.672368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.672368 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.006
local terms energy: -75.745886
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -224.382944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.382944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.382944 (E_RNA)
where:
Base-Base interactions energy: -148.998
where: short stacking energy: -75.111
Base-Backbone interact. energy: -0.002
local terms energy: -75.383025
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -209.461255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.461255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.461255 (E_RNA)
where:
Base-Base interactions energy: -137.375
where: short stacking energy: -55.516
Base-Backbone interact. energy: -0.022
local terms energy: -72.064279
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -214.737139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.737139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.737139 (E_RNA)
where:
Base-Base interactions energy: -141.783
where: short stacking energy: -63.771
Base-Backbone interact. energy: -0.601
local terms energy: -72.352943
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -169.081781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.081781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.081781 (E_RNA)
where:
Base-Base interactions energy: -107.798
where: short stacking energy: -58.362
Base-Backbone interact. energy: 0.249
local terms energy: -61.532561
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -9.864
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: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -169.942649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.942649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.942649 (E_RNA)
where:
Base-Base interactions energy: -107.956
where: short stacking energy: -43.526
Base-Backbone interact. energy: -0.114
local terms energy: -61.872659
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -111.390585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.390585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.390585 (E_RNA)
where:
Base-Base interactions energy: -55.228
where: short stacking energy: -29.506
Base-Backbone interact. energy: -0.431
local terms energy: -55.731599
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -2.687
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: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -104.925406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.925406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.925406 (E_RNA)
where:
Base-Base interactions energy: -44.924
where: short stacking energy: -38.959
Base-Backbone interact. energy: -0.152
local terms energy: -59.849800
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -91.819409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.819409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.819409 (E_RNA)
where:
Base-Base interactions energy: -42.596
where: short stacking energy: -25.482
Base-Backbone interact. energy: -0.056
local terms energy: -49.167280
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: 0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -72.291852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.291852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.291852 (E_RNA)
where:
Base-Base interactions energy: -27.192
where: short stacking energy: -23.105
Base-Backbone interact. energy: -0.490
local terms energy: -44.610041
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -230.231491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.231491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.231491 (E_RNA)
where:
Base-Base interactions energy: -156.815
where: short stacking energy: -73.079
Base-Backbone interact. energy: -0.174
local terms energy: -73.242125
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -10.835
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: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -224.191041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.191041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.191041 (E_RNA)
where:
Base-Base interactions energy: -148.791
where: short stacking energy: -73.771
Base-Backbone interact. energy: -0.725
local terms energy: -74.674809
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -232.882491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.882491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.882491 (E_RNA)
where:
Base-Base interactions energy: -152.310
where: short stacking energy: -72.341
Base-Backbone interact. energy: -0.002
local terms energy: -80.571060
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -23.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -211.523496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.523496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.523496 (E_RNA)
where:
Base-Base interactions energy: -138.236
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.643
local terms energy: -72.644110
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -180.215508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.215508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.215508 (E_RNA)
where:
Base-Base interactions energy: -108.288
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.011
local terms energy: -71.915651
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -18.962
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: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -172.774292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.774292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.774292 (E_RNA)
where:
Base-Base interactions energy: -109.528
where: short stacking energy: -52.136
Base-Backbone interact. energy: -0.157
local terms energy: -63.089198
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -12.251
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: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -132.184614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.184614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.184614 (E_RNA)
where:
Base-Base interactions energy: -75.862
where: short stacking energy: -37.125
Base-Backbone interact. energy: -0.067
local terms energy: -56.255422
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -5.746
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: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -101.934766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.934766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.934766 (E_RNA)
where:
Base-Base interactions energy: -57.621
where: short stacking energy: -26.654
Base-Backbone interact. energy: -0.618
local terms energy: -43.696208
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -83.727618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.727618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.727618 (E_RNA)
where:
Base-Base interactions energy: -30.020
where: short stacking energy: -22.902
Base-Backbone interact. energy: 0.123
local terms energy: -53.829771
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -77.822781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.822781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.822781 (E_RNA)
where:
Base-Base interactions energy: -30.050
where: short stacking energy: -30.050
Base-Backbone interact. energy: -0.294
local terms energy: -47.478883
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -12.511
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: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -226.773199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.773199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.773199 (E_RNA)
where:
Base-Base interactions energy: -152.639
where: short stacking energy: -70.000
Base-Backbone interact. energy: -0.017
local terms energy: -74.117152
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -11.852
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: 2, replica: 6
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -230.305511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.305511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.305511 (E_RNA)
where:
Base-Base interactions energy: -149.640
where: short stacking energy: -72.812
Base-Backbone interact. energy: -0.001
local terms energy: -80.664704
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -221.355551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.355551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.355551 (E_RNA)
where:
Base-Base interactions energy: -144.624
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.011
local terms energy: -76.720153
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -23.258
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: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -205.849143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.849143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.849143 (E_RNA)
where:
Base-Base interactions energy: -139.605
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.001
local terms energy: -66.243019
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -6.365
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: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -173.762993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.762993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.762993 (E_RNA)
where:
Base-Base interactions energy: -105.524
where: short stacking energy: -46.110
Base-Backbone interact. energy: -0.413
local terms energy: -67.826095
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -15.221
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: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -177.595521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.595521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.595521 (E_RNA)
where:
Base-Base interactions energy: -107.522
where: short stacking energy: -48.853
Base-Backbone interact. energy: 0.453
local terms energy: -70.526123
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -8.955
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: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -100.476813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.476813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.476813 (E_RNA)
where:
Base-Base interactions energy: -47.441
where: short stacking energy: -18.867
Base-Backbone interact. energy: -0.804
local terms energy: -52.231668
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: 1.553
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: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -93.216708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.216708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.216708 (E_RNA)
where:
Base-Base interactions energy: -35.060
where: short stacking energy: -32.585
Base-Backbone interact. energy: -0.309
local terms energy: -57.848291
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -10.986
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: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -87.661820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.661820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.661820 (E_RNA)
where:
Base-Base interactions energy: -31.595
where: short stacking energy: -25.465
Base-Backbone interact. energy: -0.010
local terms energy: -56.057533
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -8.518
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: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -74.101614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.101614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.101614 (E_RNA)
where:
Base-Base interactions energy: -24.959
where: short stacking energy: -24.959
Base-Backbone interact. energy: -0.419
local terms energy: -48.723268
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -6.417
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: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -231.574498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.574498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.574498 (E_RNA)
where:
Base-Base interactions energy: -150.014
where: short stacking energy: -70.598
Base-Backbone interact. energy: -0.001
local terms energy: -81.559649
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -13.290
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: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -221.264294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.264294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.264294 (E_RNA)
where:
Base-Base interactions energy: -152.530
where: short stacking energy: -76.536
Base-Backbone interact. energy: -0.014
local terms energy: -68.719420
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -18.458
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: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -221.195986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.195986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.195986 (E_RNA)
where:
Base-Base interactions energy: -144.438
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.015
local terms energy: -76.743318
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -17.411
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: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -198.900583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.900583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.900583 (E_RNA)
where:
Base-Base interactions energy: -129.771
where: short stacking energy: -64.357
Base-Backbone interact. energy: -0.008
local terms energy: -69.120653
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.704
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: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -177.999318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.999318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.999318 (E_RNA)
where:
Base-Base interactions energy: -110.151
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.003
local terms energy: -67.844755
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -179.504511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.504511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.504511 (E_RNA)
where:
Base-Base interactions energy: -109.933
where: short stacking energy: -50.514
Base-Backbone interact. energy: -0.081
local terms energy: -69.490671
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.044
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: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -89.794845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.794845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.794845 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -36.322
Base-Backbone interact. energy: -0.170
local terms energy: -52.782469
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -92.832194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.832194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.832194 (E_RNA)
where:
Base-Base interactions energy: -44.129
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.327
local terms energy: -48.376296
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -1.780
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: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -96.311439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.311439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.311439 (E_RNA)
where:
Base-Base interactions energy: -37.977
where: short stacking energy: -37.977
Base-Backbone interact. energy: -0.051
local terms energy: -58.283806
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -10.234
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: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -73.650130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.650130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.650130 (E_RNA)
where:
Base-Base interactions energy: -26.020
where: short stacking energy: -22.316
Base-Backbone interact. energy: -0.200
local terms energy: -47.430298
where:
bonds (distance) C4'-P energy: -7.422
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -10.037
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: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -230.704283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.704283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.704283 (E_RNA)
where:
Base-Base interactions energy: -152.349
where: short stacking energy: -76.935
Base-Backbone interact. energy: -0.733
local terms energy: -77.622191
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -22.216
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: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -229.116138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.116138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.116138 (E_RNA)
where:
Base-Base interactions energy: -150.148
where: short stacking energy: -68.137
Base-Backbone interact. energy: -0.002
local terms energy: -78.966734
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -223.280161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.280161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.280161 (E_RNA)
where:
Base-Base interactions energy: -146.914
where: short stacking energy: -68.882
Base-Backbone interact. energy: -0.016
local terms energy: -76.350312
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -10.935
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: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -213.177876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.177876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.177876 (E_RNA)
where:
Base-Base interactions energy: -141.091
where: short stacking energy: -75.214
Base-Backbone interact. energy: -0.033
local terms energy: -72.053822
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -22.001
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: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -179.566598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.566598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.566598 (E_RNA)
where:
Base-Base interactions energy: -113.608
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.001
local terms energy: -65.957431
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -174.341013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.341013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.341013 (E_RNA)
where:
Base-Base interactions energy: -115.680
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.002
local terms energy: -58.659422
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -14.164
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: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -98.460718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.460718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.460718 (E_RNA)
where:
Base-Base interactions energy: -51.425
where: short stacking energy: -39.168
Base-Backbone interact. energy: 0.661
local terms energy: -47.696516
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -98.261502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.261502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.261502 (E_RNA)
where:
Base-Base interactions energy: -42.628
where: short stacking energy: -32.321
Base-Backbone interact. energy: -0.062
local terms energy: -55.571566
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -4.480
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: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -89.505858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.505858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.505858 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -30.303
Base-Backbone interact. energy: -0.007
local terms energy: -54.284050
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -6.045
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: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -75.768152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.768152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.768152 (E_RNA)
where:
Base-Base interactions energy: -29.810
where: short stacking energy: -27.085
Base-Backbone interact. energy: -0.022
local terms energy: -45.936301
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -228.756304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.756304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.756304 (E_RNA)
where:
Base-Base interactions energy: -147.927
where: short stacking energy: -72.880
Base-Backbone interact. energy: -0.598
local terms energy: -80.231203
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -21.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -223.367576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.367576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.367576 (E_RNA)
where:
Base-Base interactions energy: -142.262
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.156
local terms energy: -80.949343
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -211.094630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.094630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.094630 (E_RNA)
where:
Base-Base interactions energy: -133.478
where: short stacking energy: -72.248
Base-Backbone interact. energy: -0.008
local terms energy: -77.607963
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -14.244
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: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -213.918915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.918915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.918915 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.289
local terms energy: -73.244477
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.714
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: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -179.228479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.228479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.228479 (E_RNA)
where:
Base-Base interactions energy: -121.878
where: short stacking energy: -43.169
Base-Backbone interact. energy: -0.319
local terms energy: -57.031760
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -174.872289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.872289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.872289 (E_RNA)
where:
Base-Base interactions energy: -114.654
where: short stacking energy: -51.705
Base-Backbone interact. energy: -0.193
local terms energy: -60.025342
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -92.712385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.712385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.712385 (E_RNA)
where:
Base-Base interactions energy: -37.596
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.720
local terms energy: -54.396674
where:
bonds (distance) C4'-P energy: -6.401
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -84.669607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.669607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.669607 (E_RNA)
where:
Base-Base interactions energy: -31.754
where: short stacking energy: -29.453
Base-Backbone interact. energy: 0.219
local terms energy: -53.135346
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -82.611720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.611720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.611720 (E_RNA)
where:
Base-Base interactions energy: -26.720
where: short stacking energy: -26.720
Base-Backbone interact. energy: -0.071
local terms energy: -55.821344
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -5.404
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: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -77.819736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.819736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.819736 (E_RNA)
where:
Base-Base interactions energy: -35.952
where: short stacking energy: -17.808
Base-Backbone interact. energy: -0.221
local terms energy: -41.646517
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -9.564
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -226.551469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.551469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.551469 (E_RNA)
where:
Base-Base interactions energy: -145.229
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.280
local terms energy: -81.042971
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -225.708934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.708934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.708934 (E_RNA)
where:
Base-Base interactions energy: -151.077
where: short stacking energy: -70.395
Base-Backbone interact. energy: -0.081
local terms energy: -74.551673
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.398
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: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -215.952270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.952270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.952270 (E_RNA)
where:
Base-Base interactions energy: -144.861
where: short stacking energy: -71.803
Base-Backbone interact. energy: -0.007
local terms energy: -71.084332
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -213.387421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.387421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.387421 (E_RNA)
where:
Base-Base interactions energy: -140.657
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.001
local terms energy: -72.729285
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -11.117
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: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -195.608009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.608009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.608009 (E_RNA)
where:
Base-Base interactions energy: -124.906
where: short stacking energy: -62.548
Base-Backbone interact. energy: -0.003
local terms energy: -70.698885
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -7.978
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: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -189.414256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.414256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.414256 (E_RNA)
where:
Base-Base interactions energy: -127.770
where: short stacking energy: -50.876
Base-Backbone interact. energy: -0.005
local terms energy: -61.638908
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -98.344158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.344158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.344158 (E_RNA)
where:
Base-Base interactions energy: -40.565
where: short stacking energy: -41.065
Base-Backbone interact. energy: -0.131
local terms energy: -57.648614
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -91.657689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.657689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.657689 (E_RNA)
where:
Base-Base interactions energy: -33.628
where: short stacking energy: -28.027
Base-Backbone interact. energy: -0.087
local terms energy: -57.942622
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -4.630
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: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -85.884482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.884482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.884482 (E_RNA)
where:
Base-Base interactions energy: -31.662
where: short stacking energy: -30.974
Base-Backbone interact. energy: -0.071
local terms energy: -54.151924
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -6.488
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: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -80.570175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570175 (E_RNA)
where:
Base-Base interactions energy: -23.930
where: short stacking energy: -21.846
Base-Backbone interact. energy: -0.107
local terms energy: -56.532826
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -2.542
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)
out arg RESULTS//1/USUV-6c675128_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -223.125515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.125515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.125515 (E_RNA)
where:
Base-Base interactions energy: -148.778
where: short stacking energy: -68.903
Base-Backbone interact. energy: -0.577
local terms energy: -73.771322
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -222.371531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.371531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.371531 (E_RNA)
where:
Base-Base interactions energy: -142.395
where: short stacking energy: -67.495
Base-Backbone interact. energy: -0.767
local terms energy: -79.209572
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -227.151148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.151148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.151148 (E_RNA)
where:
Base-Base interactions energy: -143.052
where: short stacking energy: -71.460
Base-Backbone interact. energy: -0.380
local terms energy: -83.718392
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -188.597383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.597383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.597383 (E_RNA)
where:
Base-Base interactions energy: -120.409
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.042
local terms energy: -68.146338
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -6.900
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: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -214.731599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.731599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.731599 (E_RNA)
where:
Base-Base interactions energy: -150.067
where: short stacking energy: -73.593
Base-Backbone interact. energy: -0.006
local terms energy: -64.658946
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -7.011
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: 6, replica: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -103.252267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.252267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.252267 (E_RNA)
where:
Base-Base interactions energy: -43.489
where: short stacking energy: -41.705
Base-Backbone interact. energy: -0.007
local terms energy: -59.756400
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -171.919306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.919306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.919306 (E_RNA)
where:
Base-Base interactions energy: -109.544
where: short stacking energy: -54.338
Base-Backbone interact. energy: 0.437
local terms energy: -62.811584
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -85.209449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.209449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.209449 (E_RNA)
where:
Base-Base interactions energy: -32.135
where: short stacking energy: -32.069
Base-Backbone interact. energy: -0.020
local terms energy: -53.054529
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -87.309920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.309920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.309920 (E_RNA)
where:
Base-Base interactions energy: -47.318
where: short stacking energy: -28.169
Base-Backbone interact. energy: -0.108
local terms energy: -39.884011
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: 3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -77.241671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.241671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.241671 (E_RNA)
where:
Base-Base interactions energy: -29.398
where: short stacking energy: -26.467
Base-Backbone interact. energy: 1.278
local terms energy: -49.122040
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -8.406
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -223.067584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.067584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.067584 (E_RNA)
where:
Base-Base interactions energy: -141.596
where: short stacking energy: -71.619
Base-Backbone interact. energy: -0.671
local terms energy: -80.800744
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -10.054
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: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -221.308544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.308544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.308544 (E_RNA)
where:
Base-Base interactions energy: -143.753
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.007
local terms energy: -77.548405
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -195.896696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.896696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.896696 (E_RNA)
where:
Base-Base interactions energy: -136.437
where: short stacking energy: -61.200
Base-Backbone interact. energy: -0.034
local terms energy: -59.425884
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -206.127658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.127658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.127658 (E_RNA)
where:
Base-Base interactions energy: -134.810
where: short stacking energy: -57.296
Base-Backbone interact. energy: -0.192
local terms energy: -71.124943
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -205.817356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.817356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.817356 (E_RNA)
where:
Base-Base interactions energy: -142.012
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.006
local terms energy: -63.799231
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -7.848
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -99.993144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.993144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.993144 (E_RNA)
where:
Base-Base interactions energy: -41.696
where: short stacking energy: -41.696
Base-Backbone interact. energy: -0.118
local terms energy: -58.179041
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -8.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -155.710311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.710311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.710311 (E_RNA)
where:
Base-Base interactions energy: -95.514
where: short stacking energy: -42.285
Base-Backbone interact. energy: -0.402
local terms energy: -59.794513
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -9.285
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: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -82.801979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.801979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.801979 (E_RNA)
where:
Base-Base interactions energy: -27.947
where: short stacking energy: -26.316
Base-Backbone interact. energy: -0.311
local terms energy: -54.543954
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -86.630074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.630074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.630074 (E_RNA)
where:
Base-Base interactions energy: -42.213
where: short stacking energy: -33.677
Base-Backbone interact. energy: -0.009
local terms energy: -44.407235
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -79.521839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.521839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.521839 (E_RNA)
where:
Base-Base interactions energy: -33.299
where: short stacking energy: -29.981
Base-Backbone interact. energy: -0.493
local terms energy: -45.729618
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -225.728611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.728611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.728611 (E_RNA)
where:
Base-Base interactions energy: -150.774
where: short stacking energy: -69.448
Base-Backbone interact. energy: -0.367
local terms energy: -74.587013
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -19.535
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: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -222.682379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.682379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.682379 (E_RNA)
where:
Base-Base interactions energy: -149.269
where: short stacking energy: -78.133
Base-Backbone interact. energy: -0.003
local terms energy: -73.409918
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -10.550
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: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -198.160258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.160258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.160258 (E_RNA)
where:
Base-Base interactions energy: -131.676
where: short stacking energy: -71.577
Base-Backbone interact. energy: -0.002
local terms energy: -66.482210
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -196.861680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.861680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.861680 (E_RNA)
where:
Base-Base interactions energy: -129.341
where: short stacking energy: -55.197
Base-Backbone interact. energy: -0.292
local terms energy: -67.228169
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -11.881
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: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -196.733888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.733888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.733888 (E_RNA)
where:
Base-Base interactions energy: -128.675
where: short stacking energy: -56.690
Base-Backbone interact. energy: -0.067
local terms energy: -67.991281
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -172.069769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.069769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.069769 (E_RNA)
where:
Base-Base interactions energy: -115.614
where: short stacking energy: -55.141
Base-Backbone interact. energy: -0.138
local terms energy: -56.317709
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -88.259193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259193 (E_RNA)
where:
Base-Base interactions energy: -33.275
where: short stacking energy: -31.686
Base-Backbone interact. energy: -0.122
local terms energy: -54.862208
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -81.233040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.233040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.233040 (E_RNA)
where:
Base-Base interactions energy: -33.175
where: short stacking energy: -25.820
Base-Backbone interact. energy: -0.078
local terms energy: -47.979949
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -2.949
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -94.545350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.545350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.545350 (E_RNA)
where:
Base-Base interactions energy: -48.738
where: short stacking energy: -19.274
Base-Backbone interact. energy: -0.130
local terms energy: -45.677191
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -5.493
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -79.591375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.591375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.591375 (E_RNA)
where:
Base-Base interactions energy: -36.544
where: short stacking energy: -22.108
Base-Backbone interact. energy: -0.350
local terms energy: -42.698007
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: 1.258
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -228.736918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.736918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.736918 (E_RNA)
where:
Base-Base interactions energy: -152.956
where: short stacking energy: -75.559
Base-Backbone interact. energy: -0.010
local terms energy: -75.770877
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -225.621813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.621813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.621813 (E_RNA)
where:
Base-Base interactions energy: -153.191
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.046
local terms energy: -72.384928
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -10.830
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: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -229.765026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.765026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.765026 (E_RNA)
where:
Base-Base interactions energy: -157.818
where: short stacking energy: -78.416
Base-Backbone interact. energy: -0.630
local terms energy: -71.316529
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -18.638
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: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -192.188011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.188011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.188011 (E_RNA)
where:
Base-Base interactions energy: -127.868
where: short stacking energy: -68.002
Base-Backbone interact. energy: -0.001
local terms energy: -64.318977
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -182.658947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.658947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.658947 (E_RNA)
where:
Base-Base interactions energy: -117.782
where: short stacking energy: -60.177
Base-Backbone interact. energy: 0.257
local terms energy: -65.133607
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -7.461
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: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -186.611934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.611934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.611934 (E_RNA)
where:
Base-Base interactions energy: -125.371
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.003
local terms energy: -61.238544
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -84.373178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.373178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.373178 (E_RNA)
where:
Base-Base interactions energy: -34.137
where: short stacking energy: -26.124
Base-Backbone interact. energy: -0.249
local terms energy: -49.987512
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: 0.571
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: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -94.470704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.470704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.470704 (E_RNA)
where:
Base-Base interactions energy: -42.337
where: short stacking energy: -34.118
Base-Backbone interact. energy: -0.039
local terms energy: -52.094677
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -84.667036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.667036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.667036 (E_RNA)
where:
Base-Base interactions energy: -34.425
where: short stacking energy: -29.254
Base-Backbone interact. energy: -0.370
local terms energy: -49.871619
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -81.353410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.353410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.353410 (E_RNA)
where:
Base-Base interactions energy: -38.746
where: short stacking energy: -22.262
Base-Backbone interact. energy: 0.414
local terms energy: -43.021448
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: 1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -232.585411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.585411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.585411 (E_RNA)
where:
Base-Base interactions energy: -154.360
where: short stacking energy: -73.953
Base-Backbone interact. energy: -0.010
local terms energy: -78.215496
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -229.091070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.091070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.091070 (E_RNA)
where:
Base-Base interactions energy: -150.289
where: short stacking energy: -69.107
Base-Backbone interact. energy: -0.879
local terms energy: -77.923403
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.918
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: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -214.591145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.591145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.591145 (E_RNA)
where:
Base-Base interactions energy: -144.181
where: short stacking energy: -73.974
Base-Backbone interact. energy: -0.082
local terms energy: -70.328352
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -192.484167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.484167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.484167 (E_RNA)
where:
Base-Base interactions energy: -119.360
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.192
local terms energy: -72.931924
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -10.706
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: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -201.057621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.057621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.057621 (E_RNA)
where:
Base-Base interactions energy: -134.134
where: short stacking energy: -53.914
Base-Backbone interact. energy: -0.072
local terms energy: -66.852169
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -199.066553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.066553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.066553 (E_RNA)
where:
Base-Base interactions energy: -120.525
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.281
local terms energy: -78.260248
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -10.762
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: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -94.699830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.699830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.699830 (E_RNA)
where:
Base-Base interactions energy: -48.112
where: short stacking energy: -45.736
Base-Backbone interact. energy: -0.118
local terms energy: -46.470064
where:
bonds (distance) C4'-P energy: -3.953
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -102.893377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.893377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.893377 (E_RNA)
where:
Base-Base interactions energy: -52.804
where: short stacking energy: -37.821
Base-Backbone interact. energy: -0.010
local terms energy: -50.079344
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -5.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -100.468945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.468945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.468945 (E_RNA)
where:
Base-Base interactions energy: -58.554
where: short stacking energy: -23.030
Base-Backbone interact. energy: -0.314
local terms energy: -41.600861
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: 1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -74.904720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.904720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.904720 (E_RNA)
where:
Base-Base interactions energy: -28.202
where: short stacking energy: -24.269
Base-Backbone interact. energy: -0.197
local terms energy: -46.505631
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -2.249
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)